SCHEMBL9000787

SCHEMBL9000787

COc1ccc(C(SCc2ccccc2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SOAT1 P35610 5/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ QPCT Q16769 1/20 0.37
▸ TNF P01375 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL9000786 0.91 KMT2A (0.38) LMNAMAPTMEN1KMT2AEPHX1
SCHEMBL9000398 0.89 EPHX1 (0.47) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL9000651 0.88 SOAT1 (0.41) ALDH1A1SOAT1EPHX1SMN1; SMN2
SCHEMBL9000506 0.86 SOAT1 (0.39) LMNAALDH1A1RAB9ASOAT1SMN1; SMN2
SCHEMBL9000575 0.86 SOAT1 (0.39) MAPTMEN1KMT2AALDH1A1SOAT1
SCHEMBL9000588 0.86 EPHX1 (0.38) LMNAALDH1A1SOAT1EPHX1
SCHEMBL9000839 0.86 SOAT1 (0.38) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL9000798 0.86 QPCT (0.49) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL9000753 0.85 SOAT1 (0.39) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL9000445 0.85 POLB (0.43) LMNAMAPTMEN1KMT2AALDH1A1

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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