SCHEMBL9000603

SCHEMBL9000603

CCCCc1ccc(CSC(C(=O)Nc2c(SC)cc(C)nc2SC)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 7/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SOAT2 O75908 1/20 0.33
▸ ACAT1 P24752 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TUBB4A P04350 2/20 0.32

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
SCHEMBL9000610 0.96 CTRC (0.39) SOAT1RAB9AMAPK1MEN1KMT2A
SCHEMBL9000915 0.91 SOAT1 (0.44) SOAT1RAB9AMAPK1SOAT2ACAT1
SCHEMBL9000745 0.87 EPHX1 (0.41) SOAT1RAB9AMEN1KMT2AGAA
SCHEMBL9000777 0.87 KMT2A (0.37) SOAT1MEN1KMT2ALMNACYP1A2
SCHEMBL9000722 0.87 SMN1; SMN2 (0.36) RAB9AMAPK1ACAT1MAPTNPC1
SCHEMBL9000714 0.86 GPR88 (0.39) SOAT1RAB9AMEN1KMT2ASOAT2
SCHEMBL9000888 0.86 EPHX1 (0.44) SOAT1
SCHEMBL9000423 0.86 EPHX1 (0.44) SOAT1MEN1KMT2AKDM4EMAPT
SCHEMBL9000651 0.85 SOAT1 (0.41) SOAT1SMN1; SMN2CYP1A2
SCHEMBL9000831 0.85 TOP2A (0.37) SOAT1RAB9AMEN1KMT2AMAPT

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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