SCHEMBL11864277

SCHEMBL11864277

CC=CC(=O)Nc1cccc(OC(=O)Nc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.58
▸ MAPT P10636 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ STAT1 P42224 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ MTNR1A P48039 1/20 0.51
▸ MTNR1B P49286 1/20 0.51
▸ HIF1A Q16665 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ FAAH O00519 1/20 0.49

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
SCHEMBL11864266 1.00 TRPV1 (0.58) TRPV1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL11870237 0.87 MAPT (0.57) TRPV1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL11867696 0.82 MAPT (0.51) TRPV1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL11867688 0.82 MAPT (0.51) TRPV1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL11864774 0.81 MAPT (0.58) TRPV1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL29246314 0.81 TRPV1 (0.60) TRPV1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL11863218 0.78 MTNR1A (0.49) TRPV1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL11863225 0.78 MTNR1A (0.49) TRPV1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL20365442 0.77 MTNR1A (0.53) TRPV1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL9126998 0.77 ALDH1A1 (0.69) MAPTSMN1; SMN2LMNAHTTRAB9A

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-3979202-A Meta-bifunctional benzenes and herbicidal compositions MONSANTO COMPANY (US) 1976-09-07 — — US disclosed
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