SCHEMBL9342202

SCHEMBL9342202

CCCCCCCCSc1ccc(C(=O)C=Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.56
▸ MAOA P21397 3/20 0.56
▸ CXCL12 P48061 2/20 0.53
▸ CYP1B1 Q16678 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 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
SCHEMBL9337932 1.00 MAOB (0.56) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL9337944 1.00 MAOB (0.56) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL9342195 1.00 MAOB (0.56) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL10497601 0.95 MAOB (0.58) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL10498623 0.95 MAOB (0.58) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL10498629 0.95 MAOB (0.58) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL10497629 0.95 MAOB (0.58) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL10497584 0.89 ABCG2 (0.52) ABCG2MEN1KMT2ASMN1; SMN2THRA
SCHEMBL10498124 0.89 ABCG2 (0.65) MAOBMAOACXCL12CYP1B1ABCG2
SCHEMBL10497832 0.89 ABCG2 (0.65) MAOBMAOACXCL12CYP1B1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP claimed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP claimed
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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