SCHEMBL5707367

SCHEMBL5707367

C=CC(=O)C(C)Cc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TGM2 P21980 2/20 0.47
MME P08473 7/20 0.43
ACACB O00763 1/20 0.43
EPHX1 P07099 2/20 0.41
CYP2C19 P33261 1/20 0.40
F13A1 P00488 1/20 0.40
LMNA P02545 1/20 0.40
TGM1 P22735 1/20 0.40
TGM3 Q08188 1/20 0.40

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
SCHEMBL9227299 0.83 TRPA1 (0.47) KMT2ATGM2
SCHEMBL18383090 0.82 HPGD (0.51) KMT2AMEN1NPC1RAB9A
SCHEMBL2600708 0.82 HPGD (0.51) KMT2AMEN1NPC1RAB9A
SCHEMBL20446769 0.80 LDHA (0.56) TGM2ACACBCYP2C19
SCHEMBL22235331 0.78 KMT2A (0.53) KMT2AMEN1NPC1RAB9AMME
SCHEMBL12939732 0.78 MEN1 (0.57) KMT2AMEN1NPC1RAB9AMME
SCHEMBL4597385 0.78 MEN1 (0.57) KMT2AMEN1NPC1RAB9AMME
SCHEMBL21129085 0.78 MEN1 (0.57) KMT2AMEN1NPC1RAB9AMME
SCHEMBL13968361 0.78 NPC1 (0.43) KMT2AMEN1NPC1RAB9ATGM2
SCHEMBL8044432 0.78 KMT2A (0.48) KMT2AMEN1NPC1RAB9ATGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 EP disclosed
EP-1701934-A2 DISUBSTITUTED CHALCONE OXIMES HAVING RAR(Gamma)-RETINOID RECEPTOR ANTAGONIST ACTIVITY Allergan, Inc. (US) 2006-09-20 EP disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS ALLERGAN, INC. (US) 2005-07-21 WO disclosed
WO-2005066115-A2 DISUBSTITUTED CHALCONE OXIMES HAVING RARϜ RETINOID RECEPTOR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2005-07-21 WO disclosed