SCHEMBL9508841

SCHEMBL9508841

C=CCOC(=O)Nc1ccc(OCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.52
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
PTPN7 P35236 1/20 0.51
PTPN12 Q05209 1/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.46
ALOX15 P16050 1/20 0.45
GPR174 Q9BXC1 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL8871882 0.81 TGM2 (0.59) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20207138 0.81 MEN1 (0.49) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL9505457 0.81 CASP1 (0.56) CASP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL160077 0.80 NPC1 (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17800146 0.80 ALOX15 (0.59) MAPTKMT2AMEN1ALDH1A1PTPN7
SCHEMBL16885017 0.79 CSNK2A2 (0.60) CASP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9507749 0.79 CASP1 (0.51) CASP1KMT2APOLB
SCHEMBL16270232 0.79 SMN1; SMN2 (0.65) MAPTKMT2AMEN1ALDH1A1PTPN7
SCHEMBL7116824 0.77 TGM2 (0.54) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL5073940 0.77 TGM2 (0.54) MAPTKMT2AMEN1ALDH1A1NPC1

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