SCHEMBL9048458

SCHEMBL9048458

O=C(O)C(=O)c1cccc2c1CCCC2CCC(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.45
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTB4R2 Q9NPC1 8/20 0.39
AGTR1 P30556 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
MLYCD O95822 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL9048014 0.89 PTGIR (0.43) PTGIRALDH1A1HTTLTB4R2SIGMAR1
SCHEMBL9048482 0.86 PTGIR (0.48) PTGIRSIGMAR1
SCHEMBL9048041 0.85 PTGIR (0.47) PTGIRSIGMAR1
SCHEMBL9427077 0.83 SIGMAR1 (0.44) PTGIRALDH1A1NPC1HTTLTB4R2
SCHEMBL9048429 0.82 PTGIR (0.69) PTGIRLTB4R2SIGMAR1
SCHEMBL9049779 0.81 PTGIR (0.44) PTGIRSIGMAR1
SCHEMBL9427485 0.81 PTGIR (0.45) PTGIRSIGMAR1
SCHEMBL9427323 0.80 SIGMAR1 (0.40) PTGIRALDH1A1HTTSIGMAR1MEN1
SCHEMBL9427205 0.80 PTGIR (0.69) PTGIRSIGMAR1
SCHEMBL9048752 0.79 PTGIR (0.42) PTGIRSIGMAR1

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 3 patents. 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
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed