SCHEMBL7987092

SCHEMBL7987092

CC(=O)c1ccc(OCc2c(F)cccc2F)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.47
LTB4R2 Q9NPC1 2/20 0.47
PDE4D Q08499 1/20 0.47
MAOB P27338 5/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SYK P43405 1/20 0.43
EGFR P00533 2/20 0.43
CREBBP Q92793 1/20 0.41
PTGER1 P34995 1/20 0.41
SRC P12931 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6239905 0.85 KMT2A (0.52) LTB4RLTB4R2ALDH1A1GAAMEN1
SCHEMBL7976117 0.82 LTB4R (0.69) LTB4RLTB4R2MAOBMRGPRX4MEN1
SCHEMBL7990262 0.78 ALKBH1 (0.40) LTB4RLTB4R2PDE4DMAOBGAA
SCHEMBL29803481 0.78 EGFR (0.64) MAOBMRGPRX4ALDH1A1SYKEGFR
SCHEMBL2088184 0.78 MAOB (0.68) MAOBMEN1KMT2A
SCHEMBL1545310 0.78 EGFR (0.64) MAOBMRGPRX4ALDH1A1SYKEGFR
SCHEMBL2087289 0.78 MAOB (0.70) MAOBALDH1A1GAA
SCHEMBL8827253 0.75 MAOB (0.48) MAOBMRGPRX4ALDH1A1GAASYK
SCHEMBL14611120 0.74 TSHR (0.61) LTB4RLTB4R2MRGPRX4PTGER1MEN1
SCHEMBL2089466 0.74 KMT2A (0.57) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 US disclosed
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed