SCHEMBL6986357

SCHEMBL6986357

COc1ccc(CCc2cccs2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
ATM Q13315 3/20 0.58
CYP19A1 P11511 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.50
CA2 P00918 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
ABCB1 P08183 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL6986217 0.98 ALDH1A1 (0.60) ALDH1A1ATMCYP19A1KDM4EMEN1
SCHEMBL6985211 0.90 CALM1 (0.59) ALDH1A1ATMMEN1KMT2ACYP1A2
SCHEMBL28546549 0.85 CA2 (0.61) ALDH1A1ATMKDM4EMEN1KMT2A
SCHEMBL10499446 0.82 SLC2A1 (0.62) ALDH1A1ATMKDM4EMEN1KMT2A
SCHEMBL16641094 0.80 CYP19A1 (0.77) ALDH1A1ATMCYP19A1KDM4EKMT2A
SCHEMBL31157848 0.80 CYP19A1 (0.77) ALDH1A1ATMCYP19A1KDM4EKMT2A
SCHEMBL10335393 0.78 CYP19A1 (0.81) ALDH1A1ATMCYP19A1KDM4EKMT2A
SCHEMBL7670726 0.78 HPGD (0.59) ALDH1A1KMT2APOLBPTGS1PTGS2
SCHEMBL10452193 0.78 ALDH1A1 (0.69) ALDH1A1ATMMEN1KMT2AMAPT
SCHEMBL17205675 0.76 TRPV1 (0.84) ALDH1A1ATMMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307193-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY Affymax Research Institute (US) 2003-05-07 EP disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO disclosed
US-4352805-A BENZOXEPINE DERIVATIVES THE UPJOHN COMPANY (US) 1982-10-05 US disclosed
US-4312868-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1982-01-26 US disclosed
US-4251526-A HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC PHARMACIA & UPJOHN COMPANY 1981-02-17 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 1981-02-10 US disclosed
US-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4247553-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-01-27 US disclosed
US-4207239-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1980-06-10 US disclosed
US-4206123-A INTERMEDIATES FOR HYPOTENSIVES MCCALL JOHN M (US) 1980-06-03 US disclosed
US-4181665-A INTERMEDIATES FOR AMINO DERIVATIVES POSSESSING HYPOTENSIVE AND CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1980-01-01 US disclosed
US-4179510-A ISOCHROMANS AND 2-BENZOXEPINS THE UPJOHN COMPANY (US) 1979-12-18 US disclosed
US-4166062-A HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-08-28 US disclosed
US-4153612-A 2-Benzoxepins THE UPJOHN COMPANY (US) 1979-05-08 US disclosed