SCHEMBL24258464

SCHEMBL24258464

Cc1ccc(NC(=O)OCC(C)OC(C)(C)CC(C)OC(C)(C)CC(C)OC(=O)Nc2ccc(C)c(OC#N)c2)cc1OC#N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL20443831 0.92 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ELMNAALDH1A1MAPK1
SCHEMBL22984233 0.82 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ELMNAALDH1A1MAPK1
SCHEMBL20444007 0.81 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ELMNAALDH1A1MAPK1
SCHEMBL18697374 0.80 CA12 (0.35) SMN1; SMN2KDM4ELMNAALDH1A1MAPK1
SCHEMBL20735351 0.79 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ELMNAALDH1A1MAPK1
SCHEMBL21583697 0.78 LMNA (0.42) SMN1; SMN2KDM4ELMNAALDH1A1MAPK1
SCHEMBL20419957 0.73 RAB9A (0.54) SMN1; SMN2KDM4ELMNAALDH1A1MAPK1
SCHEMBL21414070 0.73 ALDH1A1 (0.44) SMN1; SMN2KDM4ELMNAALDH1A1MAPK1
SCHEMBL27208026 0.73 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL25746456 0.72 ALDH1A1 (0.45) SMN1; SMN2KDM4ELMNAALDH1A1MAPK1

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-11254831-B2 Encapsulated oligomeric blocked isocyanates AGFA NV (BE) 2022-02-22 US disclosed