SCHEMBL8324894

SCHEMBL8324894

CCOc1ccc(C(NC(=O)c2ccccc2)c2cccc(/C=C/C(=O)OC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 8/20 0.49
LMNA P02545 5/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
EGFR P00533 1/20 0.45
POLB P06746 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL8320461 0.89 EGFR (0.52) KMT2AMEN1TAAR1ALDH1A1LMNA
SCHEMBL8317737 0.81 LMNA (0.55) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8317750 0.81 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL28831003 0.79 ALDH1A1 (0.63) KMT2AMEN1TAAR1ALDH1A1LMNA
SCHEMBL8325102 0.79 ALDH1A1 (0.40) KMT2AMEN1TAAR1ALDH1A1LMNA
SCHEMBL8321251 0.77 LMNA (0.55) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8320891 0.74 KMT2A (0.50) KMT2AMEN1TAAR1ALDH1A1LMNA
SCHEMBL19244362 0.74 KDM4E (0.74) KMT2AALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL19244360 0.74 KDM4E (0.74) KMT2AALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL8317458 0.74 PKM (0.49) KMT2AMEN1ALDH1A1LMNAGAA

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-2004071401-A2 HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed