SCHEMBL9568075

SCHEMBL9568075

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.48
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MTNR1B P49286 1/20 0.42
KDM4C Q9H3R0 3/20 0.42
KDM5A P29375 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
HTR6 P50406 2/20 0.42
PDPK1 O15530 1/20 0.42
BLM P54132 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL9568032 0.89 TRPM8 (0.47) TRPM8PARP1PARP2MTNR1BKDM4C
SCHEMBL5444606 0.85 TRPM8 (0.45) TRPM8PARP1PARP2KDM4CKDM5A
SCHEMBL9048581 0.81 PTGIR (0.39) TRPM8PARP1PARP2KDM4CHTR6
SCHEMBL9567968 0.79 TRPM8 (0.49) TRPM8MTNR1BHTTALDH1A1
SCHEMBL9048583 0.78 PTGIR (0.45) KDM4C
SCHEMBL9567976 0.76 TRPM8 (0.47) TRPM8PARP1PARP2KDM4CKDM5A
SCHEMBL4077454 0.74 USP2 (0.47) KDM4CKDM5AKDM5BTSHRHTT
SCHEMBL1725811 0.74 BLM (0.50) PARP1PARP2KDM4CKDM5AKDM5B
SCHEMBL30572310 0.74 BLM (0.50) PARP1PARP2KDM4CKDM5AKDM5B
SCHEMBL9567971 0.73 PRMT5 (0.53) MTNR1BKDM4CKDM5AKDM5BPDPK1

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