SCHEMBL9567950

SCHEMBL9567950

NC(=O)C(CCC(c1ccccc1)c1ccccc1)C1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.48
MTNR1B P49286 1/20 0.42
ECE1 P42892 5/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL9567968 0.89 TRPM8 (0.49) TRPM8MTNR1BECE1HTTALDH1A1
SCHEMBL2406499 0.82 HTT (0.45) TRPM8ECE1HTTALDH1A1BLM
SCHEMBL5198565 0.82 TRPM8 (0.44) TRPM8ECE1HTTALDH1A1BLM
SCHEMBL9050469 0.81 KMT2A (0.36) TRPM8ALDH1A1
SCHEMBL9568032 0.79 TRPM8 (0.47) TRPM8MTNR1BBLM
SCHEMBL9048588 0.78 PTGIR (0.54)
SCHEMBL11073296 0.75 ECE1 (0.45) ECE1HTTALDH1A1BLM
SCHEMBL9568005 0.75 TRPM8 (0.39) TRPM8MTNR1B
SCHEMBL8802816 0.75 TSHR (0.50) ECE1HTTALDH1A1BLM
SCHEMBL9568004 0.75 TRPM8 (0.48) TRPM8HTTALDH1A1

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