SCHEMBL9567965

SCHEMBL9567965

O=C(CC1CCCc2ccccc21)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.48
KDM5A P29375 2/20 0.48
KDM5B Q9UGL1 2/20 0.48
EPHX2 P34913 2/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
XBP1 P17861 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BLM P54132 1/20 0.43
TSHR P16473 1/20 0.43
KDM6B O15054 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
SCHEMBL9567967 0.87 TRPV1 (0.44) KDM4CKDM5AKDM5BEPHX2HTT
SCHEMBL9048031 0.82 MEN1 (0.39) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL3590904 0.80 FFAR1 (0.52) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL30301824 0.80 FFAR1 (0.52) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL9427323 0.80 SIGMAR1 (0.40) KDM4CHTTALDH1A1MEN1KMT2A
SCHEMBL9568094 0.78 MEN1 (0.49) EPHX2HTTALDH1A1XBP1MEN1
SCHEMBL7038866 0.77 HAO1 (0.53) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL9427333 0.77 PTGIR (0.58) KDM4C
SCHEMBL16066912 0.77 ESR1 (0.46) KDM4CL3MBTL1KDM6B
SCHEMBL1568052 0.77 BLM (0.51) KDM4CKDM5AKDM5BHTTALDH1A1

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