SCHEMBL9568023

SCHEMBL9568023

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.48
HTT P42858 1/20 0.46
DHODH Q02127 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
IDO1 P14902 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
SCHEMBL9568027 0.92 TRPM8 (0.46) TRPM8HTTHSD11B1IDO1
SCHEMBL9047093 0.82 TRPM8 (0.35) TRPM8HTT
SCHEMBL9567999 0.78 TRPM8 (0.47) TRPM8HTTDHODHL3MBTL1HSD11B1
SCHEMBL9427127 0.78 PTGIR (0.43) KDM4C
SCHEMBL9048797 0.78 PTGIR (0.59)
SCHEMBL31757646 0.75 MEN1 (0.39) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL9567947 0.74 TRPM8 (0.39) TRPM8HSD11B1
SCHEMBL19348013 0.73 HTT (0.43) TRPM8HTTDHODHL3MBTL1KMT2A
SCHEMBL9567990 0.73 TRPM8 (0.47) TRPM8HTTDHODHL3MBTL1HSD11B1
SCHEMBL30644032 0.73 HTT (0.48) TRPM8HTTMEN1KMT2AALDH1A1

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