SCHEMBL9567976

SCHEMBL9567976

NC(=O)C(CC1CCCc2ccccc21)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.47
EPHX1 P07099 1/20 0.41
HTT P42858 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
KDM4C Q9H3R0 4/20 0.39
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
PDPK1 O15530 1/20 0.39
HTR6 P50406 1/20 0.39
EPHX2 P34913 2/20 0.39
KMT2A Q03164 1/20 0.38
PSMB5 P28074 1/20 0.38
CFD P00746 1/20 0.38

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
SCHEMBL9048510 0.82 PTGIR (0.36) TRPM8EPHX1PARP1PARP2KDM4C
SCHEMBL9568004 0.81 TRPM8 (0.48) TRPM8EPHX1HTTEPHX2KMT2A
SCHEMBL9048514 0.80 PTGIR (0.42) EPHX1KDM4C
SCHEMBL9568075 0.76 TRPM8 (0.48) TRPM8HTTPARP1PARP2KDM4C
SCHEMBL9568024 0.76 KDM4C (0.48) TRPM8PARP1PARP2KDM4CKDM5A
SCHEMBL9568022 0.75 ALDH1A1 (0.52) TRPM8EPHX1HTTPARP1PARP2
SCHEMBL9568032 0.75 TRPM8 (0.47) TRPM8PARP1PARP2KDM4CKDM5A
SCHEMBL5444606 0.73 TRPM8 (0.45) TRPM8HTTPARP1PARP2KDM4C
SCHEMBL9568008 0.73 ALDH1A1 (0.51) HTTKDM4CKDM5AKDM5BPDPK1
SCHEMBL9567999 0.72 TRPM8 (0.47) TRPM8HTTPARP1PARP2KDM4C

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