SCHEMBL9567947

SCHEMBL9567947

NC(=O)C(N=C(c1ccccc1)c1ccccc1)C1CCc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.39
AKR1C3 P42330 1/20 0.38
PLAU P00749 1/20 0.37
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ANPEP P15144 1/20 0.36
HSD11B1 P28845 1/20 0.33
MMP1 P03956 2/20 0.33
FCER2 P06734 2/20 0.33
MMP9 P14780 2/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL9048596 0.80 PTGIR (0.43) MTNR1AMTNR1BCA1CA2
SCHEMBL9568027 0.79 TRPM8 (0.46) TRPM8HSD11B1
SCHEMBL9568019 0.76 MMP1 (0.44) TRPM8AKR1C3MMP1FCER2MMP9
SCHEMBL9568023 0.74 TRPM8 (0.48) TRPM8HSD11B1
SCHEMBL2597095 0.73 MTNR1A (0.46) PLAUMTNR1AMTNR1BCA1CA2
SCHEMBL3611898 0.71 PLAU (0.46) AKR1C3PLAUMTNR1AMTNR1BCA1
SCHEMBL27129419 0.70 ALDH1A1 (0.38)
SCHEMBL26984334 0.70 ALDH1A1 (0.38)
SCHEMBL9568005 0.69 TRPM8 (0.39) TRPM8PLAUMTNR1AMTNR1BANPEP
SCHEMBL11472821 0.69 MTNR1A (0.45) AKR1C3PLAUMTNR1AMTNR1BCA1

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