SCHEMBL7107756

SCHEMBL7107756

O=C(OCC=Cc1ccccc1)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.59
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ CHRM2 P08172 3/20 0.43
▸ CHRM1 P11229 3/20 0.43
▸ CHRM3 P20309 3/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL9597294 0.84 TRPM8 (0.47) TRPM8ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL7109134 0.84 KDM4E (0.44) TRPM8NPC1ALDH1A1RAB9A
SCHEMBL11552690 0.81 NPC1 (0.50) TRPM8NPC1ALDH1A1GLAHTT
SCHEMBL8068374 0.77 CHRM2 (0.41) TRPM8NPC1ALDH1A1GLAHTT
SCHEMBL8068379 0.77 PDK1 (0.46) TRPM8NPC1ALDH1A1GLAHTT
SCHEMBL1925076 0.76 ALDH1A1 (0.59) TRPM8NPC1ALDH1A1GLAHTT
SCHEMBL9595675 0.75 MMP1 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2MMP1
SCHEMBL9595673 0.75 MMP1 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2MMP1
SCHEMBL8721921 0.75 TRPM8 (1.00) TRPM8NPC1ALDH1A1GLAHTT
SCHEMBL8721927 0.75 TRPM8 (1.00) TRPM8NPC1ALDH1A1GLAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 — — EP disclosed
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 — — US disclosed
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