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SCHEMBL10067135

SCHEMBL10067135

CCC(C)(C)Oc1cc2cc(Oc3ccc(C(=O)c4ccc(C(C)(CC)CC)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14364635 0.92 ALDH1A1 (0.31) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL10066819 0.92 ALDH1A1 (0.31) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL14364637 0.88 — —
SCHEMBL14546135 0.85 ALDH1A1 (0.34) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL10066820 0.85 PPARG (0.32) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL14364638 0.79 PPARG (0.32) SMN1; SMN2
SCHEMBL10067132 0.79 ALDH1A1 (0.34) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL12807721 0.79 SMN1; SMN2 (0.36) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL14557992 0.78 ELANE (0.34) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL10066813 0.77 CASP1 (0.36) NPC1USP2RAB9ASMN1; SMN2HSD17B10

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
US-8178590-B2 Block copolymer and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-15 — — US disclosed
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