SCHEMBL6469520

SCHEMBL6469520

CCCc1c(Br)cccc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
LTB4R Q15722 3/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
MAPK1 P28482 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL2729495 0.86 PRNP (0.44) F2RALDH1A1PPARG
SCHEMBL6471571 0.85 ALDH1A1 (0.45) F2RKMT2AALDH1A1NPC1RAB9A
SCHEMBL5483010 0.84 PARP1 (0.40) F2RKMT2AALDH1A1MEN1
SCHEMBL6637803 0.81 GAA (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12475620 0.80 PRKCI (0.42) F2RALDH1A1NPC1RAB9ALTB4R
SCHEMBL13148436 0.80 CXCR5 (0.50) F2RALDH1A1SMN1; SMN2LTB4RCYSLTR2
SCHEMBL8879924 0.77 LTB4R (0.48) ALDH1A1NPC1RAB9ALTB4RCYSLTR2
SCHEMBL12475346 0.76 PRKCI (0.42) F2RALDH1A1NPC1RAB9ALTB4R
SCHEMBL15344547 0.76 TSHR (0.43) F2RKMT2AALDH1A1MEN1
SCHEMBL12475388 0.76 BID (0.42) LTB4RLTB4R2PPARGPPARA

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-2005110955-A1 SUBSTITUTED ACETOPHENOME AS MS REAGENTS GE HEALTHCARE BIO-SCIENCES AB (SE) 2005-11-24 WO disclosed