SCHEMBL8573316

SCHEMBL8573316

CCCCc1c(-c2ccc(NC(=O)c3ccccc3)cc2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.40
▸ MAPK14 Q16539 2/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ UGCG Q16739 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL8573842 0.90 TRPV1 (0.43) TRPV1MAPK14PTPN1NPC1RAB9A
SCHEMBL8573310 0.89 NPC1 (0.38) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8574848 0.88 FLT3 (0.40) TRPV1PTPN1NPC1RAB9AUGCG
SCHEMBL8573431 0.88 L3MBTL1 (0.34) TRPV1NPC1RAB9AGAAHDAC3
SCHEMBL8573038 0.84 GAA (0.42) TRPV1NPC1RAB9AUGCGGAA
SCHEMBL8577124 0.82 NPC1 (0.34) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8573805 0.82 GAA (0.41) TRPV1NPC1RAB9AUGCGGAA
SCHEMBL8579070 0.82 NPC1 (0.42) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL8500999 0.80 CTSL (0.37) MAPK14CYP1A2
SCHEMBL8572056 0.80 NR2E1 (0.33) TRPV1NPC1RAB9A

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-5760246-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB COMPANY 1998-06-02 — — US disclosed
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