SCHEMBL9000583

SCHEMBL9000583

CSc1cc(C)nc(SC)c1NC(=O)C(F)(F)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.37
▸ SOAT1 P35610 6/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ADCY8 P40145 1/20 0.34
▸ ADCY1 Q08828 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ DEGS1 O15121 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL9000550 0.84 SORT1 (0.40) SOAT1LMNA
SCHEMBL9000743 0.82 SOAT1 (0.38) SOAT1
SCHEMBL9000766 0.82 SOAT1 (0.38) SOAT1CYP3A4HPGD
SCHEMBL9000419 0.81 SOAT1 (0.41) SOAT1LMNAHDAC8HDAC6DHODH
SCHEMBL9001013 0.81 MAPT (0.42) SOAT1CYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL9000614 0.80 SOAT1 (0.38) SOAT1KDM4EALDH1A1HPGD
SCHEMBL9000682 0.78 SOAT1 (0.40) SOAT1KDM4EALDH1A1HPGD
SCHEMBL9000644 0.77 PLK1 (0.38) SOAT1LMNAHPGD
SCHEMBL9000803 0.73 SOAT1 (0.37) SOAT1
SCHEMBL9001010 0.70 SOAT1 (0.43) SOAT1KDM4EALDH1A1LMNAHPGD

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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