SCHEMBL15848985

SCHEMBL15848985

CCCC(CCC)C(C/C(=N\O)c1ccc(=O)n(C)c1)c1ccccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL369149 0.80 GPBAR1 (0.42) BRD4GPBAR1MEN1KMT2AHTT
SCHEMBL369151 0.80 GPBAR1 (0.42) BRD4GPBAR1MEN1KMT2AHTT
SCHEMBL369150 0.80 GPBAR1 (0.42) BRD4GPBAR1MEN1KMT2AHTT
SCHEMBL368377 0.76 GPBAR1 (0.53) BRD4GPBAR1MEN1KMT2AHTT
SCHEMBL369354 0.76 FFAR1 (0.33) BRD4GPBAR1MEN1KMT2AHTT
SCHEMBL369353 0.76 FFAR1 (0.33) BRD4GPBAR1MEN1KMT2AHTT
SCHEMBL368376 0.76 GPBAR1 (0.53) BRD4GPBAR1MEN1KMT2AHTT
SCHEMBL1389678 0.75 GPBAR1 (0.51) BRD4GPBAR1MEN1KMT2AHTT
SCHEMBL1389680 0.75 GPBAR1 (0.51) BRD4GPBAR1MEN1KMT2AHTT
SCHEMBL369998 0.74 GPBAR1 (0.45) BRD4GPBAR1LMNA

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-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed