SCHEMBL6018830

SCHEMBL6018830

O=CNc1cccc(CCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.56
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
SIRT1 Q96EB6 1/20 0.53
KEAP1 Q14145 1/20 0.52
RHOA P61586 1/20 0.50
PTPRB P23467 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
PTEN P60484 1/20 0.50
PTPMT1 Q8WUK0 1/20 0.50
GFER P55789 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
FFAR4 Q5NUL3 3/20 0.46
ALDH1A1 P00352 1/20 0.46
FABP4 P15090 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 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
SCHEMBL13972907 0.83 SELP (0.52) GAAMAPTALDH1A1FABP4
SCHEMBL30489981 0.83 SELP (0.52) GAAMAPTALDH1A1FABP4
SCHEMBL23845445 0.80 NPC1 (0.44) ITGB3ITGA2BGAAMAPTALDH1A1
SCHEMBL16299420 0.80 FFAR1 (0.58) FFAR1ITGB3ITGA2BSIRT1KEAP1
SCHEMBL12017476 0.80 FFAR1 (0.58) FFAR1ITGB3ITGA2BSIRT1KEAP1
SCHEMBL9489348 0.80 FFAR1 (0.56) FFAR1KEAP1FFAR4ALDH1A1
SCHEMBL31422531 0.80 KEAP1 (0.59) FFAR1ITGB3ITGA2BSIRT1KEAP1
SCHEMBL70271 0.78 KEAP1 (0.74) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL10388289 0.78 GRIN2D (0.47) GAAALDH1A1
SCHEMBL14401880 0.78 ALDH1A1 (0.48) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141333-B1 PROCESS FOR THE ENZYMATIC PREPARATION OF AMINO ACID DERIVATIVES WITH ENHANCED OPTICAL PURITY DSM IP ASSETS BV (NL) 2006-06-14 EP disclosed
EP-1013769-A1 Process for the enzymatic preparation of amino acid derivatives with enhanced optical purity DSM N.V. (NL) 2000-06-28 EP disclosed
US-4404278-A RADIOIMMUNOLOGY; FLUORESCENCE; ANTIBODIES SYVA COMPANY (US) 1983-09-13 US disclosed
EP-0052921-A1 Methods and compositions for assaying for the production of 1,4-dihydropyridyl SYVA COMPANY (US) 1982-06-02 EP disclosed