SCHEMBL8941559

SCHEMBL8941559

O=C(O)c1ccc(OCc2ccc(O)cc2)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.63
MAOA P21397 5/20 0.60
CA12 O43570 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
TSHR P16473 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MCL1 Q07820 1/20 0.55
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL1519064 0.90 MAOB (0.77) MAOBMAOAALDH1A1MCL1LMNA
SCHEMBL23812253 0.89 RXRA (0.63) MAOBMAOAMCL1APP
SCHEMBL13978183 0.89 RXRA (0.63) MAOBMAOAMCL1LMNA
SCHEMBL8069592 0.89 MAOB (0.62) MAOBMAOAALDH1A1MCL1
SCHEMBL3296065 0.89 MAOB (0.76) MAOBMAOAMCL1LMNA
SCHEMBL3298441 0.89 MAOB (0.76) MAOBMAOAMCL1
SCHEMBL3297175 0.88 MCL1 (0.68) MAOBMAOAMCL1
SCHEMBL3299304 0.86 MCL1 (0.59) MAOBMAOATSHRMCL1
SCHEMBL3296874 0.86 MCL1 (0.59) MAOBMAOATSHRMCL1
SCHEMBL9305947 0.86 CA12 (0.51) MAOBMAOACA12ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8048621-A None JP disclosed
JP-H0848621-A SKIN WHITENING COSMETIC KAO CORP 1996-02-20 JP disclosed