SCHEMBL9568047

SCHEMBL9568047

O=C(CCC1CCCc2ccccc21)NOC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
PTGIR P43119 4/20 0.42
UGCG Q16739 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
KDM4C Q9H3R0 3/20 0.41
KDM5A P29375 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
HTR6 P50406 1/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL9567988 0.91 TAOK1 (0.47) TRPV1PTGIRUGCGALDH1A1PARP1
SCHEMBL9567986 0.88 UGCG (0.50) TRPV1UGCGALDH1A1KDM4CKDM5A
SCHEMBL9567963 0.82 ALDH1A1 (0.44) TRPV1PTGIRALDH1A1KDM4CKDM5A
SCHEMBL9568077 0.82 TRPV1 (0.46) TRPV1PTGIRALDH1A1KDM4CKDM5A
SCHEMBL9051691 0.82 PTGIR (0.46) PTGIRKDM4C
SCHEMBL9567993 0.81 PRMT5 (0.49) UGCGHTR6
SCHEMBL9051694 0.81 PTGIR (0.52) PTGIRKDM4C
SCHEMBL9051699 0.81 PTGIR (0.69) PTGIR
SCHEMBL9568037 0.80 CNR1 (0.46) TRPV1ALDH1A1KDM4CKDM5AKDM5B
SCHEMBL9567979 0.78 ALDH1A1 (0.49) TRPV1ALDH1A1KDM4CKDM5AKDM5B

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed