SCHEMBL9000714

SCHEMBL9000714

CCCCOc1ccc(C(SCc2ccccc2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FAAH O00519 1/20 0.36
▸ SOAT1 P35610 6/20 0.36
▸ SOAT2 O75908 1/20 0.36
▸ ACAT1 P24752 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ PLA2G2A P14555 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL9000601 0.95 PLA2G2A (0.37) GPR88LMNAMAPTNPC1TP53
SCHEMBL9000722 0.92 SMN1; SMN2 (0.36) GPR88LMNAMAPTNPC1TP53
SCHEMBL9000398 0.90 EPHX1 (0.47) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9000588 0.90 EPHX1 (0.38) LMNASOAT1EPHX1ALDH1A1L3MBTL1
SCHEMBL9000651 0.88 SOAT1 (0.41) SMN1; SMN2SOAT1EPHX1ALDH1A1POLB
SCHEMBL9000890 0.87 SOAT1 (0.43) LMNAMAPTNPC1TP53RAB9A
SCHEMBL9000575 0.87 SOAT1 (0.39) MAPTSMN1; SMN2SOAT1MEN1ALDH1A1
SCHEMBL9000506 0.87 SOAT1 (0.39) LMNARAB9ASMN1; SMN2SOAT1ALDH1A1
SCHEMBL9000445 0.86 POLB (0.43) LMNAMAPTSOAT1EPHX1MEN1
SCHEMBL9000753 0.86 SOAT1 (0.39) LMNAMAPTNPC1RAB9ASMN1; SMN2

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-5583147-A INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-10 — — US disclosed
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