SCHEMBL6837461

SCHEMBL6837461

CCCCNC1CC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
ALDH1A1 P00352 12/20 0.58
POLB P06746 2/20 0.58
GAA P10253 4/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
ALOX15 P16050 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL22426270 0.95 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL22426269 0.95 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL22426232 0.92 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL22426231 0.92 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL22426241 0.85 KMT2A (0.78) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL22426242 0.85 KMT2A (0.78) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6214766 0.85 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL9634928 0.82 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL22426264 0.82 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL22426258 0.78 ALDH1A1 (0.71) SMN1; SMN2KMT2AMEN1ALDH1A1POLB

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-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP disclosed