SCHEMBL7479874

SCHEMBL7479874

CC(C)(C(=O)O)c1c(-c2cc3ccccc3o2)c(-c2ccccc2)c2n1CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.42
PTGES O14684 1/20 0.38
MAPT P10636 3/20 0.37
PTGS1 P23219 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NFKB1 P19838 1/20 0.36
NPY1R P25929 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1394083 0.77 PTGES (0.58) ALOX5PTGESPTGS1
Choline SCHEMBL1393676 0.69 PTGES (0.52) ALOX5PTGESPTGS1
SCHEMBL4148109 0.65 ALOX5 (0.68) ALOX5PTGESPTGS1
SCHEMBL18768389 0.64 FLT3 (0.49) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL16161638 0.62 ALOX5 (0.48) ALOX5PTGESPTGS1MEN1KMT2A
SCHEMBL9458606 0.62 ALOX5 (0.53) ALOX5PTGESPTGS1MEN1KMT2A
SCHEMBL9458734 0.61 PTGES (0.65) ALOX5PTGESPTGS1
SCHEMBL731363 0.61 MAOB (0.71) ALOX5PTGESMAPTALDH1A1KDM4E
SCHEMBL31105656 0.61 MAOB (0.71) ALOX5PTGESMAPTALDH1A1KDM4E
SCHEMBL4601674 0.61 MAOB (0.58) ALOX5MAPTALDH1A1KDM4ENPC1

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
EP-0763036-B1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF MERCKLE GMBH (DE) 2002-09-11 EP claimed