SCHEMBL9507749

SCHEMBL9507749

C=CCOC(=O)NCCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.51
TBXA2R P21731 1/20 0.49
TBXAS1 P24557 1/20 0.49
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 1/20 0.47
FAAH O00519 1/20 0.44
POLB P06746 1/20 0.41

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
SCHEMBL9505457 0.87 CASP1 (0.56) CASP1GLAKMT2A
SCHEMBL4590122 0.86 KMT2A (0.59) GLAKMT2AFAAHPOLB
SCHEMBL31437081 0.82 FFAR1 (0.52) CASP1KMT2A
SCHEMBL6996476 0.80 KMT2A (0.47) CASP1GLAKMT2AFAAH
SCHEMBL4589632 0.80 KMT2A (0.54) CASP1GLAKMT2AFAAH
SCHEMBL9508841 0.79 CASP1 (0.52) CASP1KMT2APOLB
SCHEMBL132095 0.78 POLB (0.51) GLAKMT2APTPN1POLB
SCHEMBL11077052 0.78 ACACB (0.52) GLAKMT2AFAAHPOLB
SCHEMBL13220483 0.76 TBXA2R (0.57) TBXA2RTBXAS1KMT2APTPN1POLB
SCHEMBL12201807 0.76 ESRRG (0.53) CASP1GLAKMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278911-B1 BICYCLIC BETA-LACTAM CARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1993-08-04 EP disclosed
US-4965260-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1990-10-23 US disclosed
EP-0278911-A1 Bicyclic beta-lactam carboxylic acids CIBA-GEIGY AG (CH) 1988-08-17 EP disclosed