SCHEMBL9301481

SCHEMBL9301481

COC(=O)c1cc(-c2cccs2)c2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.57
ALOX5 P09917 3/20 0.54
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FFAR1 O14842 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
C5AR1 P21730 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
SCHEMBL9300644 0.85 P2RY14 (0.78) P2RY14ALOX5LMNAHPGDLTB4R
SCHEMBL9022751 0.80 LMNA (0.66) P2RY14ALOX5LMNAHPGDLTB4R
SCHEMBL9023224 0.78 LTB4R (0.59) P2RY14ALOX5LMNAHPGDLTB4R
SCHEMBL1779167 0.77 ALOX5 (0.59) P2RY14ALOX5LMNAHPGDNPC1
SCHEMBL9022779 0.77 LTB4R (0.56) P2RY14ALOX5LMNAHPGDLTB4R
SCHEMBL9300748 0.77 ALOX5 (0.50) P2RY14ALOX5TP53MAPTMEN1
SCHEMBL9023228 0.77 P2RY14 (0.53) P2RY14ALOX5LMNAHPGDLTB4R
SCHEMBL9022950 0.77 P2RY14 (0.53) P2RY14ALOX5LMNAHPGDLTB4R
SCHEMBL9022773 0.77 P2RY14 (0.53) P2RY14ALOX5LMNAHPGDLTB4R
SCHEMBL27416082 0.76 P2RY14 (0.55) P2RY14ALOX5LMNAHPGDLTB4R

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-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed
WO-1994000444-A1 HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed