SCHEMBL8949857

SCHEMBL8949857

CCCc1cc(Oc2cccc(C(=O)OCC)c2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
F10 P00742 2/20 0.47
F2 P00734 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HSD17B2 P37059 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
SERPINE1 P05121 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL5205610 0.88 CA12 (0.54) CA12CA1CA2CA9MEN1
SCHEMBL8949783 0.84 MAPT (0.47) CA12CA1CA2CA9MEN1
SCHEMBL1515780 0.82 CA12 (0.68) CA12CA1CA2CA9MEN1
SCHEMBL23484454 0.80 MAPT (0.53) CA12CA1CA2CA9MEN1
SCHEMBL8737053 0.80 MEN1 (0.60) MEN1MAPTKMT2AF10F2
SCHEMBL8955466 0.80 MEN1 (0.57) CA12CA1CA2CA9MEN1
SCHEMBL9938318 0.80 MEN1 (0.70) MEN1MAPTKMT2AF10F2
SCHEMBL16648400 0.79 ALOX5 (0.49) LTB4RLTB4R2
SCHEMBL8634029 0.79 LTA4H (0.45) MEN1MAPTKMT2ALTB4RLTB4R2
SCHEMBL930833 0.79 MEN1 (0.62) MEN1MAPTKMT2AF10F2

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-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed