SCHEMBL7422762

SCHEMBL7422762

CC(C)CCCCCc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
SLC18A2 Q05940 1/20 0.44
NQO2 P16083 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
ESR1 P03372 3/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6863376 1.00 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL11709614 1.00 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL2845252 0.85 ESR1 (0.50) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL7687298 0.85 SIGMAR1 (0.48) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
Ammonia Solution, Strong SCHEMBL11816347 0.84 ESR1 (0.49) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL7632660 0.83 HIF1A (0.43)
SCHEMBL30899680 0.83 HIF1A (0.43)
SCHEMBL9800436 0.83 CYP1A2 (0.58) SIGMAR1CYP1A2CYP2C19CYP2D6NQO2
SCHEMBL6681464 0.83 SIGMAR1 (0.44) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2
SCHEMBL17288559 0.83 SIGMAR1 (0.44) SIGMAR1CYP1A2CYP2C19CYP2D6SLC18A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233945-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL Holdings, Inc. (US) 2002-08-28 EP disclosed
EP-1105112-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
WO-2001038304-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL HOLDINGS, INC. (US) 2001-05-31 WO disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000009108-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed
US-4933249-A Electrostatographic pressure fixing process using encapsulated toner particles FUJI PHOTO FILM CO., LTD. (JP) 1990-06-12 US disclosed
US-4803144-A Electrophotographic encapsulated pressure fixable toner particles with electroconductive powder coating FUJI PHOTO FILM CO., LTD. (JP) 1989-02-07 US disclosed
US-4699866-A Preparation of electrostatographic encapsulated toner material improved in powder characteristics FUJI PHOTO FILM CO., LTD. (JP) 1987-10-13 US disclosed
US-4642281-A CORE OF POLYMER AND HIGH BOILING SOLVENT; SHELL POLYMER BY IN-SITU POLYMERIZATION FUJI PHOTO FILM CO., LTD. (JP) 1987-02-10 US disclosed
US-4476211-A Preparation of electrostatographic toner material provided with surface electroconductivity FUJI PHOTO FILM CO., LTD. (JP) 1984-10-09 US disclosed
US-4476212-A Preparation of electrostatographic toner material FUJI PHOTO FILM CO., LTD. (JP) 1984-10-09 US disclosed
US-4468446-A Electrostatographic encapsulated toner material improved in powder characteristics FUJI PHOTO FILM CO., LTD. (JP) 1984-08-28 US disclosed
US-4465756-A Electrostatographic enscapsulated toner material improved in chargeability FUJI PHOTO FILM CO., LTD. (JP) 1984-08-14 US disclosed
US-4465755-A Pressure fixable electrostatographic toner material comprising encapsulated particles containing curing agent FUJI PHOTO FILM CO., LTD. 1984-08-14 US disclosed
US-4455362-A Preparation of encapsulated electrostatographic toner material FUJI PHOTO FILM CO., LTD. (JP) 1984-06-19 US disclosed
US-4442194-A Preparation of encapsulated electrostatographic toner material using gelatin derivative FUJI PHOTO FILM CO., LTD. (JP) 1984-04-10 US disclosed
US-4078934-A Photosensitive, image-forming composition containing a leuco 2,3-disubstituted-1-indanone and a photooxidant E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-03-14 US disclosed
US-3992450-A PHOTOSENSITIVE COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-11-16 US disclosed
US-3931251-A FROM ANTHRAQUINONE, PURIFICATION USING SULFUROUS ACID SALT BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed