SCHEMBL11856321

SCHEMBL11856321

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MME P08473 7/20 0.42
ACACB O00763 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EPHX1 P07099 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27986499 0.83 MME (0.45) PPARGPPARAMMEACACBMEN1
SCHEMBL1173415 0.82 CYP1A2 (0.52) EPHX1NPC1RAB9A
SCHEMBL27807869 0.82 MME (0.51) PPARGPPARAMMEMEN1KMT2A
SCHEMBL1173417 0.82 CYP1A2 (0.52) EPHX1NPC1RAB9A
SCHEMBL18921686 0.82 MME (0.45) PPARGPPARAMMEACACBMEN1
SCHEMBL3634087 0.80 ACACB (0.47) PPARGPPARAMMEACACBMEN1
SCHEMBL11862170 0.80 PPARG (0.44) PPARGPPARAMMEACACBMEN1
SCHEMBL30563831 0.78 KMT2A (0.51) PPARGPPARAMMEACACBMEN1
SCHEMBL11861005 0.76 PNMT (0.49) PPARGPPARAKMT2AEPHX1
SCHEMBL15446289 0.76 HDAC1 (0.52) PPARGPPARAACACBMEN1KMT2A

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
US-4000173-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 US disclosed