SCHEMBL22984233

SCHEMBL22984233

Cc1ccc(NC(=O)OCC(C)C)cc1OC#N

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
HTT P42858 3/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 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
SCHEMBL20735351 0.91 SMN1; SMN2 (0.49) SMN1; SMN2LMNATSHRHTTALOX15
SCHEMBL20419957 0.85 RAB9A (0.54) SMN1; SMN2LMNATSHRHTTL3MBTL1
SCHEMBL20443831 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNATSHRHTTALOX15
SCHEMBL24258464 0.82 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRHTTALOX15
SCHEMBL27208026 0.82 SMN1; SMN2 (0.42) SMN1; SMN2LMNATSHRHTTALOX15
SCHEMBL25746456 0.81 ALDH1A1 (0.45) SMN1; SMN2LMNATSHRHTTALOX15
SCHEMBL21414070 0.80 ALDH1A1 (0.44) SMN1; SMN2LMNATSHRHTTMAPK1
SCHEMBL12537832 0.79 LMNA (0.62) SMN1; SMN2LMNATSHRHTTALOX15
SCHEMBL21307498 0.78 KDM4E (0.39) SMN1; SMN2TSHRALDH1A1CYP1A2HPGD
SCHEMBL18942380 0.78 KDM4E (0.39) SMN1; SMN2LMNAMAPK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10920006-B2 Hybrid polymers SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2021-02-16 US disclosed