SCHEMBL9000612

SCHEMBL9000612

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 11/20 0.44
▸ ADCY6 O43306 6/20 0.44
▸ ADCY3 O60266 6/20 0.44
▸ ADCY9 O60503 6/20 0.44
▸ ADCY5 O95622 6/20 0.44
▸ ADCY8 P40145 6/20 0.44
▸ ADCY7 P51828 6/20 0.44
▸ ADCY2 Q08462 6/20 0.44
▸ ADCY1 Q08828 6/20 0.44
▸ ADCY4 Q8NFM4 6/20 0.44
▸ SOAT1 P35610 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL9000513 0.90 SOAT1 (0.41) SOAT1ALDH1A1MAPTHDAC3HDAC4
SCHEMBL9000450 0.89 SOAT1 (0.41) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL9000758 0.89 SOAT1 (0.41) SOAT1ALDH1A1MAPTHDAC3HDAC4
SCHEMBL9000599 0.88 SOAT1 (0.40) SOAT1HDAC3HDAC4HDAC1HDAC8
SCHEMBL9000409 0.88 TRPV1 (0.40) SOAT1MAPT
SCHEMBL9000604 0.86 EPHX1 (0.47) SOAT1ALDH1A1MAPT
SCHEMBL9000846 0.86 SOAT1 (0.40) SOAT1MAPTHDAC3HDAC4HDAC1
SCHEMBL9000798 0.84 QPCT (0.49) SOAT1ALDH1A1MAPT
SCHEMBL9000785 0.83 PPARG (0.37) GCGRSOAT1HDAC3HDAC1
SCHEMBL9000825 0.82 GLI1 (0.39) SOAT1

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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