SCHEMBL9000513

SCHEMBL9000513

CSc1cc(C)nc(SC)c1NC(=O)C(Cc1ccccc1)c1ccc(C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL9000758 0.93 SOAT1 (0.41) SOAT1MAPTHDAC3HDAC4HDAC1
SCHEMBL9000450 0.91 SOAT1 (0.41) SOAT1MAPTHDAC3HDAC4HDAC1
SCHEMBL9000612 0.90 GCGR (0.44) SOAT1MAPTHDAC3HDAC4HDAC1
SCHEMBL9000599 0.89 SOAT1 (0.40) SOAT1HDAC3HDAC4HDAC1HDAC8
SCHEMBL9000409 0.89 TRPV1 (0.40) SOAT1MAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL9000846 0.89 SOAT1 (0.40) SOAT1MAPTHDAC3HDAC4HDAC1
SCHEMBL9000798 0.86 QPCT (0.49) SOAT1MAPTLMNAALDH1A1TSHR
SCHEMBL9000506 0.84 SOAT1 (0.39) SOAT1LMNAALDH1A1NPSR1L3MBTL1
SCHEMBL9000825 0.84 GLI1 (0.39) SOAT1
SCHEMBL9000693 0.81 EPHX1 (0.37) SOAT1CRHBPCRHR2

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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