SCHEMBL9595673

SCHEMBL9595673

[NH]C(=O)OC/C=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP12 P39900 1/20 0.55
IDO1 P14902 2/20 0.55
PAM P19021 1/20 0.55
CACNA1B Q00975 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
LMNA P02545 2/20 0.46
MAOB P27338 1/20 0.46
HDAC3 O15379 1/20 0.45
TNKS O95271 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL9595675 1.00 MMP1 (0.55) MMP1MMP2MMP9MMP12IDO1
SCHEMBL3324115 0.86 IDO1 (0.57) MMP1MMP2MMP9MMP12IDO1
SCHEMBL9762368 0.86 IDO1 (0.57) MMP1MMP2MMP9MMP12IDO1
SCHEMBL293067 0.86 IDO1 (0.57) MMP1MMP2MMP9MMP12IDO1
SCHEMBL293068 0.86 IDO1 (0.57) MMP1MMP2MMP9MMP12IDO1
SCHEMBL3295683 0.83 MMP1 (0.54) MMP1MMP2MMP9MMP12IDO1
SCHEMBL9762373 0.83 MMP1 (0.54) MMP1MMP2MMP9MMP12IDO1
SCHEMBL113958 0.83 IDO1 (0.58) MMP1MMP2MMP9MMP12IDO1
SCHEMBL113959 0.83 IDO1 (0.58) MMP1MMP2MMP9MMP12IDO1
SCHEMBL12123424 0.83 MMP1 (0.54) MMP1MMP2MMP9MMP12IDO1

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-0215739-B1 SYNTHESIS OF BETA-LACTAM COMPOUNDS CIBA-GEIGY AG (CH) 1993-09-01 EP disclosed
EP-0215739-A1 Synthesis of beta-lactam compounds CIBA-GEIGY AG (CH) 1987-03-25 EP disclosed