SCHEMBL17206250

SCHEMBL17206250

O=C(CCCc1cccs1)NCc1ccc2c(c1)OCO2

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.75
▸ SMN1; SMN2 Q16637 4/20 0.75
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ NPC1 O15118 3/20 0.69
▸ RAB9A P51151 3/20 0.69
▸ ALDH1A1 P00352 2/20 0.61
▸ TRPV1 Q8NER1 1/20 0.61
▸ POLB P06746 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.54
▸ USP2 O75604 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ TP53 P04637 1/20 0.53

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
SCHEMBL28999860 0.86 SMN1; SMN2 (0.71) HPGDSMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL179082 0.81 HPGD (0.73) HPGDSMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL108701 0.80 KMT2A (0.73) HPGDSMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL17205667 0.80 TRPV1 (0.67) HPGDSMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL17205764 0.79 TRPV1 (0.66) HPGDSMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL28999828 0.79 HPGD (0.61) HPGDSMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL17205973 0.79 USP2 (0.84) HPGDSMN1; SMN2ALDH1A1TRPV1POLB
SCHEMBL17690748 0.78 HPGD (0.67) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17205675 0.77 TRPV1 (0.84) HPGDALDH1A1TRPV1KMT2AMEN1
SCHEMBL12980467 0.77 TRPV1 (0.65) HPGDSMN1; SMN2NPC1RAB9AALDH1A1

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
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 — — WO disclosed
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