SCHEMBL6344102

SCHEMBL6344102

ONC1CCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
EPHX1 P07099 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.55
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
TAS1R2 Q8TE23 2/20 0.54
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL2321988 0.88 PDPK1 (0.66) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8664436 0.88 PDPK1 (0.66) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL11748233 0.85 HTT (0.60) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL2115700 0.84 HTT (0.63) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL18539244 0.81 LMNA (0.55) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL61094 0.81 PDPK1 (0.79) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL61095 0.81 PDPK1 (0.79) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL5270795 0.81 LMNA (0.55) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL61380 0.81 PDPK1 (0.79) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL15295177 0.81 LMNA (0.55) HTTALDH1A1KMT2AMEN1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030215531-A1 Compositions and methods of use for extracts of Rutaceae plants STOGNIEW MARTIN (US) 2003-11-20 US claimed
US-20020061339-A1 Compositions and methods for use of extracts of rutaceae plants NPI, LLC. 2002-05-23 US claimed
WO-2002026244-A2 COMPOSITIONS AND METHODS OF USE FOR EXTRACTS OF RUTACEAE PLANTS NEXT PHARMACEUTICALS, INC. (US) 2002-04-04 WO claimed
EP-3943500-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF Agilent Technologies, Inc. (US) 2022-01-26 EP disclosed
US-6844368-B1 Compounds useful in pain management ASTRAZENECA CANADA INC. (CA) 2005-01-18 US disclosed
US-20030215531-A1 Compositions and methods of use for extracts of Rutaceae plants STOGNIEW MARTIN (US) 2003-11-20 US disclosed
US-20020061339-A1 Compositions and methods for use of extracts of rutaceae plants NPI, LLC. 2002-05-23 US disclosed
WO-2002026244-A2 COMPOSITIONS AND METHODS OF USE FOR EXTRACTS OF RUTACEAE PLANTS NEXT PHARMACEUTICALS, INC. (US) 2002-04-04 WO disclosed
JP-2000007624-A PRODUCTION OF OPTICALLY ACTIVE 2-AMINO-SUBSTITUTED TETRALIN SUMIKA FINE CHEMICALS CO LTD 2000-01-11 JP disclosed
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed
US-4500545-A HYPOTENSIVE, ANTISECRETORY AGENTS, AND DOPAMINE ANTAGONIST ELI LILLY AND COMPANY (US) 1985-02-19 US disclosed
US-4448990-A Hydroxyaminotetralincarboxamides ELI LILLY AND COMPANY (US) 1984-05-15 US disclosed
US-4062856-A ANIMAL GROWTH REGULATOR, HERBICIDE AMERICAN CYANAMID CO. (US) 1977-12-13 US disclosed
US-4005140-A ANIMAL GROWTH REGULATORS, HERBICIDES AMERICAN CYANAMID COMPANY (US) 1977-01-25 US disclosed
US-3953506-A ANIMAL GROWTH REGULATORS, HERBICIDES AMERICAN CYANAMID COMPANY (US) 1976-04-27 US disclosed