SCHEMBL369940

SCHEMBL369940

Cc1cccc(C(Cc2ccc(Br)cc2)C(=O)c2ccc(O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
PTPN1 P18031 7/20 0.41
PTPN2 P17706 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 3/20 0.38
HSP90AA1 P07900 1/20 0.37
NTSR1 P30989 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL369643 0.87 RAB9A (0.45) LMNASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL370420 0.82 PTGFR (0.47) LMNASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL1395269 0.80 MAPT (0.39) LMNAPTPN1PTPN2SMN1; SMN2MEN1
SCHEMBL13305519 0.79 LMNA (0.56) LMNAHSD17B10ESR1ESR2PTPN1
SCHEMBL1395396 0.75 FAAH (0.45) LMNASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL1395400 0.75 FAAH (0.45) LMNASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL1395399 0.74 FFAR1 (0.35) LMNAPTPN1SMN1; SMN2ALDH1A1TP53
SCHEMBL368441 0.72 PTPN1 (0.50) PTPN1PTPN2MEN1KMT2ARAB9A
SCHEMBL11772434 0.71 MME (0.51) LMNAHSD17B10MEN1KMT2ARAB9A
SCHEMBL21579845 0.70 ESR1 (0.58) LMNAHSD17B10ESR1ESR2PTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed