SCHEMBL9567987

SCHEMBL9567987

O=C(CCC1CCCc2ccccc21)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4C Q9H3R0 3/20 0.44
KDM5A P29375 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
DHODH Q02127 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL5622296 0.90 KDM4C (0.54) ALDH1A1KDM4CKDM5AKDM5BL3MBTL1
SCHEMBL9567996 0.89 ALDH1A1 (0.51) ALDH1A1KDM4CKDM5AKDM5BDHODH
SCHEMBL9046402 0.81 PTGIR (0.66) ALDH1A1KDM4CKDM4E
SCHEMBL9568017 0.78 KCNQ2 (0.53) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL9568002 0.76 MEN1 (0.49) ALDH1A1KDM4CKDM5AKDM5BDHODH
SCHEMBL5623941 0.76 HTR6 (0.51) KDM4CKDM5AKDM5BHTTTRPV1
SCHEMBL9568077 0.74 TRPV1 (0.46) ALDH1A1KDM4CKDM5AKDM5BDHODH
SCHEMBL9567963 0.74 ALDH1A1 (0.44) ALDH1A1KDM4CKDM5AKDM5BDHODH
SCHEMBL1566782 0.73 SIGMAR1 (0.49) ALDH1A1TRPV1PARP1PARP2
SCHEMBL10585088 0.72 CYP19A1 (0.48) ALDH1A1KDM4CKDM5AKDM5BTRPV1

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