SCHEMBL9000506

SCHEMBL9000506

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccccc1)c1ccc(C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9000651 0.94 SOAT1 (0.41) SOAT1NPSR1ALDH1A1POLBSMN1; SMN2
SCHEMBL9000753 0.93 SOAT1 (0.39) SOAT1NPSR1ALDH1A1LMNAPOLB
SCHEMBL9000575 0.92 SOAT1 (0.39) SOAT1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9000445 0.91 POLB (0.43) SOAT1ALDH1A1LMNAPOLB
SCHEMBL9000831 0.91 TOP2A (0.37) SOAT1NPSR1LMNAPOLBRAB9A
SCHEMBL9000588 0.90 EPHX1 (0.38) SOAT1ALDH1A1LMNAL3MBTL1
SCHEMBL9000839 0.90 SOAT1 (0.38) SOAT1ALDH1A1LMNASMN1; SMN2
SCHEMBL9000398 0.90 EPHX1 (0.47) SOAT1LMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL9000604 0.90 EPHX1 (0.47) SOAT1ALDH1A1POLB
SCHEMBL9000677 0.89 EPHX1 (0.42) SOAT1NPSR1

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
Send feedback