SCHEMBL9000798

SCHEMBL9000798

COc1ccc(C(Cc2ccccc2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.49
▸ HIF1A Q16665 1/20 0.42
▸ KCNQ2 O43526 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ SOAT1 P35610 3/20 0.39
▸ TNF P01375 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9000409 0.89 TRPV1 (0.40) MEN1KMT2AMAPTRAB9AFPR2
SCHEMBL9000513 0.86 SOAT1 (0.41) MAPTALDH1A1RAB9ALMNASOAT1
SCHEMBL9000787 0.86 LMNA (0.46) QPCTMEN1KMT2AMAPTALDH1A1
SCHEMBL9000846 0.85 SOAT1 (0.40) KCNQ2MEN1KMT2AMAPTLMNA
SCHEMBL9000599 0.85 SOAT1 (0.40) LMNASOAT1
SCHEMBL9000450 0.85 SOAT1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9000758 0.85 SOAT1 (0.41) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL9000612 0.84 GCGR (0.44) MAPTALDH1A1SOAT1
SCHEMBL9000825 0.84 GLI1 (0.39) MEN1KMT2ASOAT1
SCHEMBL9000757 0.83 KCNQ2 (0.37) KCNQ2MEN1KMT2AMAPTALDH1A1

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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