SCHEMBL20458554

SCHEMBL20458554

C=C(CC(=O)NC)SCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MCL1 Q07820 1/20 0.33
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24574359 0.76
SCHEMBL2107941 0.72
SCHEMBL19061149 0.71 LMNA (0.37) LMNAALDH1A1MCL1MAPT
SCHEMBL2106440 0.68
SCHEMBL21185421 0.67
SCHEMBL2612191 0.67
SCHEMBL6069824 0.66
SCHEMBL22598066 0.65
SCHEMBL20326365 0.65 MCL1 (0.34) LMNAMCL1KMT2A
SCHEMBL12961588 0.64

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
EP-3357926-A1 TRANSDERMAL DELIVERY SYSTEMS OF BETA-LACTAM ANTIBIOTICS Yu, Chongxi (US) 2018-08-08 EP disclosed