SCHEMBL11780792

SCHEMBL11780792

CCc1occc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TDO2 P48775 2/20 0.36
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BACE1 P56817 1/20 0.33
DPP4 P27487 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MAPT P10636 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP2B6 P20813 1/20 0.32
ALDH1A1 P00352 5/20 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
SCHEMBL4652501 0.79 DPP4 (0.47) TDO2TP53CHRM2CHRM4CHRM5
SCHEMBL8627682 0.78 CALM1 (0.42) PTGS1PTGS2TDO2CHRM2CHRM4
SCHEMBL10166444 0.71 NPC1 (0.44) TP53CHRM2CHRM4CHRM5CHRM1
SCHEMBL25706171 0.70 CHRM2 (0.51) TDO2CHRM2CHRM4CHRM5CHRM1
SCHEMBL887941 0.69 CHRM2 (0.50) TDO2CHRM2CHRM4CHRM5CHRM1
SCHEMBL10047206 0.68 LMNA (0.46) TDO2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8654071 0.68 FOLH1 (0.41) PTGS1PTGS2TP53MAPTCYP2A6
SCHEMBL19367723 0.68 TDO2 (0.70) PTGS1PTGS2TDO2MAPTADORA3
SCHEMBL10766018 0.68 TP53 (0.43) TP53BCL2L1
SCHEMBL31412182 0.67 BACE1 (0.48) TDO2TP53CHRM2CHRM4CHRM5

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-3962195-A TERPOLYMERS OF A FURAN, A MALEIC ANHYDRIDE AND ONE OF A CONJUGATED DIENE AND A VINYL AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1976-06-08 US disclosed