SCHEMBL10498083

SCHEMBL10498083

CCCCCCCCCCCCCCCCCCCCc1ccc(C(=S)C=Cc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SLCO1B3 Q9NPD5 1/20 0.52
▸ SLCO1B1 Q9Y6L6 1/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.52
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL10497961 0.99 ABCG2 (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10497947 0.99 ABCG2 (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10497651 0.99 ABCG2 (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10497605 0.96 ABCG2 (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10497147 0.96 ABCG2 (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10497674 0.96 ABCG2 (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9337688 0.94 ABCG2 (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9342405 0.94 ABCG2 (0.51) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10498782 0.94 MAOB (0.52) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9337816 0.94 ABCG2 (0.51) MEN1USP2ALDH1A1LMNACYP3A4

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
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