SCHEMBL9567979

SCHEMBL9567979

O=C(CCC1CCCc2ccccc21)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
NCOA1 Q15788 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
CCR3 P51677 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
PSMB5 P28074 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
KDM4C Q9H3R0 3/20 0.40
KDM5A P29375 2/20 0.40
KDM5B Q9UGL1 2/20 0.40
PDPK1 O15530 1/20 0.40
DHODH Q02127 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9568008 0.89 ALDH1A1 (0.51) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9567963 0.85 ALDH1A1 (0.44) ALDH1A1HTTTRPV1KDM4CKDM5A
SCHEMBL9048529 0.81 PTGIR (0.66) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9568077 0.81 TRPV1 (0.46) ALDH1A1HTTTRPV1KDM4CKDM5A
SCHEMBL9568034 0.80 PSMB5 (0.57) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9568000 0.79 ALDH1A1 (0.43) ALDH1A1TRPV1KDM4CKDM5AKDM5B
SCHEMBL9568047 0.78 TRPV1 (0.44) ALDH1A1TRPV1KDM4CKDM5AKDM5B
SCHEMBL9568037 0.78 CNR1 (0.46) ALDH1A1HTTTRPV1KDM4CKDM5A
SCHEMBL9568029 0.77 TAOK1 (0.49) ALDH1A1TRPV1KDM4CKDM5AKDM5B
SCHEMBL9568025 0.76 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2PDPK1

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