SCHEMBL10498782

SCHEMBL10498782

CCCCCCCCCCCCCCCCCCCc1ccc(C(=S)C=Cc2ccc(OCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ MAPT P10636 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ SLCO1B3 Q9NPD5 1/20 0.45
▸ SLCO1B1 Q9Y6L6 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL10498083 0.94 MEN1 (0.52) MAOBABCG2KMT2ASMN1; SMN2LMNA
SCHEMBL10497947 0.93 ABCG2 (0.51) ABCG2KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL10497651 0.93 ABCG2 (0.51) ABCG2KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL10497961 0.93 ABCG2 (0.51) ABCG2KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL10497147 0.90 ABCG2 (0.51) ABCG2KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL10497674 0.90 ABCG2 (0.51) ABCG2KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL10497605 0.90 ABCG2 (0.51) ABCG2KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL9338572 0.90 MAOB (0.56) MAOBABCG2MAPTRAB9AKMT2A
SCHEMBL10497709 0.90 THRA (0.52) KMT2AMEN1
SCHEMBL10497532 0.90 THRA (0.52) KMT2AMEN1

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