SCHEMBL8870479

SCHEMBL8870479

CC(C)(C)OC(=O)C1CSC(c2ccccc2Cl)N1C(=O)CNC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ FFAR2 O15552 13/20 0.43
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CBS P35520 1/20 0.37
▸ CASR P41180 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
SCHEMBL8870489 1.00 HTT (0.45) HTTFFAR2LMNANPC1RAB9A
SCHEMBL8871677 0.92 NPC1 (0.38) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8871681 0.92 NPC1 (0.38) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8870833 0.91 CASR (0.36) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8870841 0.91 CASR (0.36) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8870544 0.90 NPC1 (0.41) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8870433 0.90 NPC1 (0.41) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8870431 0.90 NPC1 (0.41) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7572233 0.90 MEN1 (0.42) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL5276625 0.90 MEN1 (0.42) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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