SCHEMBL9597294

SCHEMBL9597294

O=C(O)CN(C(=O)OCC=Cc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 4/20 0.47
▸ PAM P19021 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ IDO1 P14902 2/20 0.42
▸ EPOR P19235 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ CACNA1B Q00975 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL7107756 0.84 TRPM8 (0.59) TRPM8MMP1MMP2MMP9MMP12
SCHEMBL9597461 0.81 CYP3A4 (0.47) TRPM8ALDH1A1MAPTSMN1; SMN2
SCHEMBL10220933 0.77 TRPM8 (0.69) TRPM8ALDH1A1MAPTRECQLSMN1; SMN2
SCHEMBL9595673 0.76 MMP1 (0.55) PAMMMP1MMP2MMP9MMP12
SCHEMBL9595675 0.76 MMP1 (0.55) PAMMMP1MMP2MMP9MMP12
SCHEMBL1203729 0.75 SMN1; SMN2 (0.54) CTDSP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL293068 0.74 IDO1 (0.57) PAMMMP1MMP2MMP9MMP12
SCHEMBL9762368 0.74 IDO1 (0.57) PAMMMP1MMP2MMP9MMP12
SCHEMBL293067 0.74 IDO1 (0.57) PAMMMP1MMP2MMP9MMP12
SCHEMBL3324115 0.74 IDO1 (0.57) PAMMMP1MMP2MMP9MMP12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993011132-A1 METHOD OF PREPARING THE ANTIBIOTIC CEFACLOR CIBA-GEIGY AG (CH) 1993-06-10 — — WO disclosed
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