SCHEMBL8875772

SCHEMBL8875772

COc1ccccc1CC(=O)N1CC2C(C1)C(O)(c1ccccc1OC)C=CC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.52
FNTB P49356 5/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
ALOX15 P16050 1/20 0.41
USP2 O75604 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
SCHEMBL8873499 0.89 FNTA (0.57) FNTAFNTBKMT2AMEN1SIGMAR1
SCHEMBL8874595 0.89 FNTA (0.57) FNTAFNTBKMT2AMEN1SIGMAR1
SCHEMBL8873556 0.81 FNTA (0.52) FNTAFNTBKMT2AMEN1SIGMAR1
SCHEMBL8875074 0.80 FNTA (0.54) FNTAFNTBKMT2AMEN1SIGMAR1
SCHEMBL8875081 0.80 FNTA (0.54) FNTAFNTBKMT2AMEN1SIGMAR1
SCHEMBL8875314 0.79 FNTA (0.52) FNTAFNTBKMT2AMEN1SIGMAR1
Hydrochloric Acid SCHEMBL8873794 0.78 FNTA (0.52) FNTAFNTBKMT2AMEN1SIGMAR1
SCHEMBL8875525 0.78 FNTA (0.51) FNTAFNTBKMT2AMEN1SIGMAR1
SCHEMBL8874803 0.78 FNTA (0.56) FNTAFNTBKMT2AMEN1SIGMAR1
SCHEMBL8874686 0.77 FNTA (0.60) FNTAFNTBKMT2AMEN1SIGMAR1

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