SCHEMBL2845252

SCHEMBL2845252

CC(C)CCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
SLC18A2 Q05940 1/20 0.49
NQO2 P16083 1/20 0.49
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.47
MTNR1A P48039 2/20 0.46
AR P10275 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL11816347 0.98 ESR1 (0.49) ESR1CYP1A2CYP2C19CYP2D6SIGMAR1
SCHEMBL11805501 0.87 GABRA1 (0.41) ESR1SIGMAR1SLC18A2
SCHEMBL6863376 0.85 SIGMAR1 (0.51) ESR1CYP1A2CYP2C19CYP2D6SIGMAR1
SCHEMBL11709614 0.85 SIGMAR1 (0.51) ESR1CYP1A2CYP2C19CYP2D6SIGMAR1
SCHEMBL7422762 0.85 SIGMAR1 (0.51) ESR1CYP1A2CYP2C19CYP2D6SIGMAR1
SCHEMBL2480671 0.85 KMT2A (0.51) CYP1A2CYP2C19CYP2D6SIGMAR1SLC18A2
SCHEMBL11816697 0.85 SLC6A2 (0.58) CYP1A2CYP2C19CYP2D6SIGMAR1SLC18A2
SCHEMBL7907492 0.85 NQO2 (0.50) CYP1A2CYP2C19CYP2D6SIGMAR1SLC18A2
SCHEMBL4819780 0.85 CYP1A2 (0.47) ESR1CYP1A2CYP2C19CYP2D6SIGMAR1
SCHEMBL5252569 0.83 TDP1 (0.46) CYP1A2CYP2C19CYP2D6SIGMAR1SLC18A2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2092535-B1 ENERGY CABLE PRYSMIAN SPA (IT) 2017-01-18 EP claimed
US-8378216-B2 Energy cable PRYSMIAN S.P.A. (IT) 2013-02-19 US claimed
US-20100126756-A1 ENERGY CABLE PRYSMIAN CAVIESISTEMI ENERGIA (IT) 2010-05-27 US claimed
WO-2020137651-A1 LUBRICATING OIL COMPOSITION AND PRODUCTION METHOD THEREFOR 昭和電工株式会社 2020-07-02 WO disclosed
EP-1018538-B1 REFRIGERATOR FLUID COMPOSITION NIPPON MITSUBISHI OIL CORP (JP) 2017-03-22 EP disclosed
EP-2092535-B1 ENERGY CABLE PRYSMIAN SPA (IT) 2017-01-18 EP disclosed
US-8378216-B2 Energy cable PRYSMIAN S.P.A. (IT) 2013-02-19 US disclosed
US-20100126756-A1 ENERGY CABLE PRYSMIAN CAVIESISTEMI ENERGIA (IT) 2010-05-27 US disclosed
EP-2092535-A1 ENERGY CABLE Prysmian S.p.A. (IT) 2009-08-26 EP disclosed
WO-2008058572-A1 ENERGY CABLE PRYSMIAN S.P.A. (IT) 2008-05-22 WO disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
EP-1165515-A1 PYRIDINE-2,3-DICARBOXYLIC ACID DIAMIDES BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2000058288-A1 PYRIDINE-2,3-DICARBOXYLIC ACID DIAMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed
EP-1018538-A1 REFRIGERATOR OIL COMPOSITION AND REFRIGERATOR FLUID COMPOSITION Nippon Mitsubishi Oil Corporation (JP) 2000-07-12 EP disclosed
EP-0989179-A1 Refrigerating machine oil Nippon Mitsubishi Oil Corporation (JP) 2000-03-29 EP disclosed
EP-0906324-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
WO-1997045436-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed