SCHEMBL9050858

SCHEMBL9050858

O=C=C(C1CCCc2c(C(=O)C(=O)O)cccc21)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LTB4R2 Q9NPC1 4/20 0.37
ATM Q13315 1/20 0.36
CHRM2 P08172 7/20 0.35
CHRM1 P11229 7/20 0.35
CHRM3 P20309 7/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
PDK1 Q15118 1/20 0.33

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
SCHEMBL9048669 0.80 MEN1 (0.42) ALDH1A1HTT
SCHEMBL9048458 0.78 PTGIR (0.45) ALDH1A1LTB4R2ATMCHRM2CHRM1
SCHEMBL9048927 0.73 PTGIR (0.43) ALDH1A1
SCHEMBL9427323 0.72 SIGMAR1 (0.40) ALDH1A1HTT
SCHEMBL9048014 0.70 PTGIR (0.43) ALDH1A1LTB4R2HTT
SCHEMBL9047848 0.70 PTGIR (0.43) ALDH1A1
SCHEMBL9427077 0.69 SIGMAR1 (0.44) ALDH1A1LTB4R2NPC1HTT
SCHEMBL9049799 0.69 F11 (0.42) ALDH1A1HTTSMN1; SMN2
SCHEMBL9046465 0.68 PRMT5 (0.41)
SCHEMBL9427490 0.68 MEN1 (0.39) ALDH1A1HTT

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
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed