SCHEMBL8519245

SCHEMBL8519245

N#CC(=Cc1cccc(Cl)c1)c1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.63
ESR2 Q92731 3/20 0.63
NQO2 P16083 2/20 0.62
KIF20A O95235 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 7/20 0.49
NPSR1 Q6W5P4 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL13485336 0.94 KIF20A (0.58) ESR1ESR2NQO2KIF20AALDH1A1
SCHEMBL364138 0.91 MAPT (0.58) ESR1ESR2NQO2KIF20AALDH1A1
SCHEMBL364137 0.91 MAPT (0.58) ESR1ESR2NQO2KIF20AALDH1A1
SCHEMBL623482 0.87 ALDH1A1 (0.53) ESR1ESR2NQO2KIF20AALDH1A1
SCHEMBL623481 0.87 ALDH1A1 (0.53) ESR1ESR2NQO2KIF20AALDH1A1
SCHEMBL8401348 0.85 KIF20A (0.51) ESR1ESR2NQO2KIF20AALDH1A1
SCHEMBL8401347 0.85 KIF20A (0.51) ESR1ESR2NQO2KIF20AALDH1A1
SCHEMBL12486647 0.81 CYP1A2 (0.66) KIF20AALDH1A1KDM4EPOLBPKM
SCHEMBL12486650 0.81 CYP1A2 (0.66) KIF20AALDH1A1KDM4EPOLBPKM
SCHEMBL8088202 0.80 ESR1 (0.82) ESR1ESR2NQO2ALDH1A1KDM4E

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-0640586-B1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO LTD (JP) 1999-06-09 EP disclosed
US-5589506-A ENZYME INHIBITORS FOR LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-12-31 US disclosed
EP-0640586-A1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO., LTD. (JP) 1995-03-01 EP disclosed