SCHEMBL9011968

SCHEMBL9011968

CCCCCC(=O)N=C(NC(=O)CCCOC(C)=O)n1cccn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.30
POLB P06746 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
SCHEMBL9012507 0.90 NOS1 (0.43) NOS1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9012482 0.78 NOS1 (0.38) NOS1
SCHEMBL9011965 0.76 NOS1 (0.44) NOS1ALDH1A1
SCHEMBL9012049 0.71 NOS1 (0.61) NOS1
SCHEMBL4249587 0.70 NOS1 (0.36) NOS1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8196578 0.69 NOS1 (0.34) NOS1
SCHEMBL8199304 0.68 NOS1 (0.34) NOS1
SCHEMBL4566478 0.66 NOS1 (0.46) NOS1ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL22612236 0.66 ELANE (0.37) NOS1
SCHEMBL22612237 0.66 ELANE (0.37) NOS1

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-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP disclosed