SCHEMBL8649482

SCHEMBL8649482

CCCC(C(=O)O)c1ccc(OCc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALOX5 P09917 3/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
MITF O75030 2/20 0.44
CCR6 P51684 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
PPP1CA P62136 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
ADORA3 P0DMS8 3/20 0.42
BCHE P06276 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL8557228 0.78 ALOX5 (0.46) MAPTALOX5L3MBTL1MITFCCR6
SCHEMBL8557217 0.78 ALOX5 (0.60) MAPTALOX5ADORA3
SCHEMBL7598120 0.74 ALDH1A1 (0.45) MAPTALOX5L3MBTL1MITFCCR6
SCHEMBL8649479 0.74 CYSLTR2 (0.53) MAPTL3MBTL1ALDH1A1PKMPPP1CA
SCHEMBL8557961 0.72 MAPT (0.42) MAPTALOX5L3MBTL1MITFCCR6
SCHEMBL8646511 0.72 CYSLTR2 (0.63) ALOX5
SCHEMBL6000209 0.71 PTPN2 (0.58) MAPTALOX5L3MBTL1PKMPPARD
SCHEMBL6001006 0.71 PTPN2 (0.55) MAPTALOX5L3MBTL1KDM4EPPARD
SCHEMBL6000619 0.71 PTPN2 (0.55) MAPTALOX5L3MBTL1PPARDPPARA
SCHEMBL6619798 0.71 CYP1A2 (0.39) ALDH1A1KDM4EPPARDPPARAKDM4A

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-0862557-A1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1998-09-09 EP disclosed
WO-1997012867-A1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO disclosed