SCHEMBL9666239

SCHEMBL9666239

Cc1c(C)c2c(c(C)c1O)C(c1ccc(F)cc1)C(C)(C)O2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL3595127 0.87 IDO1 (0.32) IDO1TDO2
SCHEMBL9668101 0.85 ALOX5 (0.46) IDO1ALOX5MEN1KMT2A
SCHEMBL10481184 0.83 NOS3 (0.31) ALOX5
SCHEMBL4039502 0.83 PTGS1 (0.31) ALOX5
SCHEMBL4038662 0.83 TSHR (0.35) ALOX5
Hydrochloric Acid SCHEMBL9667575 0.82 TSHR (0.35) ALOX5
SCHEMBL9667322 0.82 CYP2A6 (0.33) ALOX5
SCHEMBL8717957 0.81 MEN1 (0.33) IDO1TDO2MEN1KMT2A
SCHEMBL4037446 0.78 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL2947678 0.78 KDM4E (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 EP claimed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 US claimed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP claimed
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 EP disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed