SCHEMBL8167640

SCHEMBL8167640

CCOC(=O)CCc1sc2cc(OC)c(OC)cc2c1Oc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TNF P01375 6/20 0.40
▸ STING1 Q86WV6 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL7394624 0.86 STING1 (0.50) L3MBTL1STING1ALDH1A1GAAMAPT
SCHEMBL8167415 0.84 L3MBTL1 (0.44) L3MBTL1STING1ALDH1A1GAAESR1
SCHEMBL8180473 0.81 L3MBTL1 (0.40) L3MBTL1STING1ALDH1A1CYP1A2CYP3A4
SCHEMBL8175134 0.80 PPARG (0.44) L3MBTL1ALDH1A1GAAMAPTTSHR
SCHEMBL7395401 0.79 L3MBTL1 (0.51) L3MBTL1STING1ESR1CNR2
SCHEMBL8176541 0.76 SERPINE1 (0.40) L3MBTL1STING1ALDH1A1MAPTESR1
SCHEMBL7392946 0.76 L3MBTL1 (0.43) L3MBTL1STING1ALDH1A1
SCHEMBL7394439 0.76 L3MBTL1 (0.43) L3MBTL1STING1ALDH1A1
SCHEMBL7395385 0.75 L3MBTL1 (0.46) L3MBTL1STING1MAPTESR1KDR
SCHEMBL8180444 0.73 L3MBTL1 (0.44) L3MBTL1STING1ALDH1A1GAAMAPT

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-6048875-A CARDIOVASCULAR DISORDERS; REDUCING THROMBOSIS ADIR ET COMPAGNIE (FR) 2000-04-11 — — US disclosed
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