SCHEMBL8874506

SCHEMBL8874506

COc1ccccc1CC(=O)N1CC2C(O)CCC(O)(c3ccccc3OC)C2C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.58
FNTB P49356 6/20 0.58
SIGMAR1 Q99720 2/20 0.46
KMT2A Q03164 4/20 0.45
TACR1 P25103 3/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CCR3 P51677 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9003093 0.83 FNTA (0.72) FNTAFNTBSIGMAR1KMT2ATACR1
SCHEMBL8875081 0.83 FNTA (0.54) FNTAFNTBSIGMAR1KMT2ATACR1
SCHEMBL8875074 0.83 FNTA (0.54) FNTAFNTBSIGMAR1KMT2ATACR1
SCHEMBL8545840 0.81 TACR1 (0.67) FNTAFNTBSIGMAR1KMT2ATACR1
SCHEMBL8956909 0.81 TACR1 (0.67) FNTAFNTBSIGMAR1KMT2ATACR1
SCHEMBL8874475 0.80 TACR1 (0.57) FNTAFNTBSIGMAR1KMT2ATACR1
SCHEMBL8875525 0.80 FNTA (0.51) FNTAFNTBSIGMAR1KMT2ATACR1
SCHEMBL8874686 0.80 FNTA (0.60) FNTAFNTBSIGMAR1KMT2ATACR1
SCHEMBL8873556 0.78 FNTA (0.52) FNTAFNTBSIGMAR1KMT2AMEN1
SCHEMBL8875087 0.77 FNTA (0.52) FNTAFNTBSIGMAR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624950-A USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS RHONE-POULENC RORER S.A. (FR) 1997-04-29 US disclosed