SCHEMBL8596033

SCHEMBL8596033

CCN1C(=O)CS(=O)(=O)c2ccc(C(=O)OC)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.45
CPT1B Q92523 2/20 0.45
CPT2 P23786 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
KCNN4 O15554 2/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 7/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 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
SCHEMBL8595363 0.87 CPT1A (0.51) CPT1ACPT1BCPT2POLBMAPT
SCHEMBL8552397 0.83 CPT1A (0.37) CPT1ACPT1BCPT2KCNN4MAPT
SCHEMBL5415041 0.83 SMN1; SMN2 (0.56) SMN1; SMN2POLBKCNN4MAPTALDH1A1
SCHEMBL27570035 0.77 SMN1; SMN2 (0.48) SMN1; SMN2POLBALDH1A1KDM4EHSD17B10
SCHEMBL25174387 0.75 ALDH1A1 (0.52) SMN1; SMN2POLBALDH1A1KDM4EHSD17B10
SCHEMBL30382290 0.75 ALDH1A1 (0.52) SMN1; SMN2POLBALDH1A1KDM4EHSD17B10
SCHEMBL9667697 0.75 BRD4 (0.51) SMN1; SMN2POLBMAPTALDH1A1KDM4E
SCHEMBL8551997 0.74 POLB (0.70) SMN1; SMN2POLBMAPTALDH1A1TSHR
SCHEMBL8039033 0.74 ALDH1A1 (0.47) SMN1; SMN2POLBALDH1A1TSHRCASP3
SCHEMBL8062935 0.72 ALDH1A1 (0.51) SMN1; SMN2POLBMAPTALDH1A1TSHR

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-0846112-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-10 EP disclosed
WO-1997008164-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO disclosed