SCHEMBL9305947

SCHEMBL9305947

O=C(O)c1ccc(OCCc2ccc(O)cc2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CA2 P00918 1/20 0.51
TSHR P16473 1/20 0.51
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
SLC16A3 O15427 1/20 0.48
FFAR1 O14842 2/20 0.48
PPARD Q03181 1/20 0.48
MCL1 Q07820 1/20 0.47
BCL2A1 Q16548 1/20 0.47
PLA2G4A P47712 1/20 0.46

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
SCHEMBL8067260 0.91 MAOB (0.58) CA12CA1CA7CA9CA2
SCHEMBL7104144 0.90 NPC1 (0.53) ALDH1A1TSHRMAOBMAOAFFAR1
SCHEMBL8654378 0.90 XDH (0.49) MAOBMAOASLC16A3FFAR1PPARD
SCHEMBL8941559 0.86 MAOB (0.63) CA12CA1CA7CA9CA14
SCHEMBL10592482 0.82 PPARA (0.60) ALDH1A1MAOBPPARDMCL1
SCHEMBL9304221 0.81 PPARA (0.67) ALDH1A1PPARD
SCHEMBL29664618 0.81 ALDH1A1 (0.53) CA12CA1CA7CA9CA14
SCHEMBL632103 0.81 ALDH1A1 (0.53) CA12CA1CA7CA9CA14
SCHEMBL5145329 0.81 RXRA (0.54) MAOBMAOAPPARD
SCHEMBL7104145 0.80 TSHR (0.52) ALDH1A1TSHRMAOBFFAR1

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-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed