SCHEMBL8795164

SCHEMBL8795164

CC1(C)C=C(SC(F)(F)F)c2ccccc2O1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
RAD52 P43351 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL6535545 0.70 ALDH1A1 (0.41) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL9378364 0.69 LMNA (0.34) MAPT
SCHEMBL17414489 0.69 ATM (0.34) ALDH1A1MAPTHPGDRAD52OPRD1
SCHEMBL14162088 0.66 CHRM1 (0.35) ALDH1A1MAPTHPGDRAD52
SCHEMBL7738968 0.66 ALDH1A1 (0.35) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL9845357 0.65 OPRD1 (0.45) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL10652225 0.65 ALDH1A1 (0.32) ALDH1A1MAPTHPGDOPRD1KCNH2
SCHEMBL6859852 0.62 ALDH1A1 (0.34) ALDH1A1MAPTHPGDOPRD1OPRK1
SCHEMBL17746831 0.62 LPL (0.39) ALDH1A1MAPTHPGD
SCHEMBL8795163 0.61 MEN1 (0.36) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP disclosed
EP-0586405-A1 NOVEL 2H-BENZO b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS. BEIERSDORF LILLY GMBH (DE) 1994-03-16 EP disclosed
WO-1992020671-A1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed