SCHEMBL14601299

SCHEMBL14601299

CC1N[C@H](c2ccccc2)COC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 2/20 0.36
TSHR P16473 2/20 0.35
CHRNA7 P36544 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1315164 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL11951038 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL1315523 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL2534767 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL1315418 0.79 CACNA1G (0.51) SMN1; SMN2MEN1KMT2ALMNACYP19A1
SCHEMBL1318530 0.79 MEN1 (0.39) SMN1; SMN2MEN1KMT2ALMNACYP19A1
SCHEMBL1317448 0.76 CACNA1G (0.56) CYP2C19CYP1A2CYP3A4
SCHEMBL13446662 0.76 CACNA1G (0.56) CYP2C19CYP1A2CYP3A4
SCHEMBL22854374 0.75 CACNA1G (0.40) SMN1; SMN2MEN1KMT2ALMNACYP3A4
SCHEMBL7662572 0.73 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ALMNA

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
WO-2007031698-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2007-03-22 WO disclosed