SCHEMBL10498623

SCHEMBL10498623

CCCCSc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.58
▸ MAOA P21397 3/20 0.58
▸ CXCL12 P48061 2/20 0.56
▸ CYP1B1 Q16678 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 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
SCHEMBL10497601 1.00 MAOB (0.58) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL10498629 1.00 MAOB (0.58) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL10497629 1.00 MAOB (0.58) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL9337944 0.95 MAOB (0.56) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL9342202 0.95 MAOB (0.56) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL9337932 0.95 MAOB (0.56) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL9342195 0.95 MAOB (0.56) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL9342016 0.87 MAPT (0.57) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL9339786 0.87 ABCG2 (0.53) CXCL12CYP1B1ABCG2MEN1KMT2A
SCHEMBL9339789 0.87 ABCG2 (0.53) CXCL12CYP1B1ABCG2MEN1KMT2A

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
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
Send feedback