SCHEMBL8551997

SCHEMBL8551997

CCN1C(=O)CSc2ccc(C(=O)OC)cc21

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
ALDH1A1 P00352 6/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
USP2 O75604 1/20 0.64
TSHR P16473 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KDM4E B2RXH2 1/20 0.54
ALOX15 P16050 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 3/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL31411699 0.85 POLB (0.65) POLBSMN1; SMN2ALDH1A1L3MBTL1USP2
SCHEMBL29978554 0.84 ALDH1A1 (0.64) POLBSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL21972975 0.84 ALDH1A1 (0.64) POLBSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL25920688 0.84 ALDH1A1 (0.65) POLBSMN1; SMN2ALDH1A1L3MBTL1USP2
SCHEMBL5422370 0.83 POLB (1.00) POLBSMN1; SMN2ALDH1A1L3MBTL1USP2
SCHEMBL31411545 0.82 POLB (0.60) POLBSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL31411654 0.81 ALDH1A1 (0.63) POLBSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL21972352 0.81 TP53 (0.68) POLBSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL31411768 0.81 POLB (0.61) POLBSMN1; SMN2ALDH1A1L3MBTL1USP2
SCHEMBL31411740 0.81 POLB (0.58) POLBSMN1; SMN2ALDH1A1LMNANPC1

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