SCHEMBL4745625

SCHEMBL4745625

CC(C)(C)OC(=O)C(CN)CCBr

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
CPB2 Q96IY4 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL26100054 0.88 KMT2A (0.38) MEN1GAAKMT2ANOS1NOS3
SCHEMBL8329644 0.85 NOS1 (0.33) MEN1GAAKMT2ANOS1NOS3
SCHEMBL28058283 0.85 KMT2A (0.36) MEN1GAAKMT2ANOS1NOS3
SCHEMBL6932447 0.84 KMT2A (0.36) MEN1GAAKMT2ANOS1NOS3
SCHEMBL28739490 0.83 MEN1 (0.35) MEN1GAAKMT2ANOS1NOS3
Hydrochloric Acid SCHEMBL15268739 0.81 HDAC1 (0.39) MEN1GAAKMT2ANOS1NOS3
SCHEMBL28580983 0.81 CA2 (0.47) MEN1GAAKMT2A
SCHEMBL3048518 0.80 CA2 (0.46) MEN1GAAKMT2A
SCHEMBL473544 0.79 NOS1 (0.33) MEN1GAAKMT2ANOS1NOS3
SCHEMBL38661123 0.79 CA2 (0.38) MEN1GAAKMT2ANOS1NOS3

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-2008110351-A2 USE OF (R) AND (S)-2-ARYL-PROPIONIC ACID DERIVATIVES AS ANTISEPTIC AGENTS DOMPE' PHA.R.MA S.P.A. (IT) 2008-09-18 WO disclosed