SCHEMBL9515385

SCHEMBL9515385

CCCc1c(OCCCOc2ccc([N+](=O)[O-])cc2)ccc2c1OC(CCC(=O)OCC)(CCC(=O)OCC)CC2=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.41
LTB4R2 Q9NPC1 9/20 0.41
MAPT P10636 5/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9514396 0.91 LTB4R (0.48) LTB4RLTB4R2MAPTKMT2AALDH1A1
SCHEMBL9513652 0.89 LTB4R (0.43) LTB4RLTB4R2MAPTALDH1A1LMNA
SCHEMBL9514454 0.89 LTB4R (0.43) LTB4RLTB4R2MAPTKMT2AALDH1A1
SCHEMBL9515360 0.89 LTB4R (0.43) LTB4RLTB4R2MAPTKMT2AALDH1A1
SCHEMBL9515370 0.85 LTB4R (0.51) LTB4RLTB4R2ALDH1A1
SCHEMBL9513132 0.85 LTB4R (0.51) LTB4RLTB4R2ALDH1A1
SCHEMBL9513714 0.85 LTB4R (0.51) LTB4RLTB4R2ALDH1A1
SCHEMBL9515326 0.85 LTB4R (0.43) LTB4RLTB4R2ALDH1A1PPARGPPARD
SCHEMBL9513208 0.85 LTB4R (0.43) LTB4RLTB4R2ALDH1A1PPARGPPARD
SCHEMBL9512244 0.83 LTB4R (0.53) LTB4RLTB4R2PPARGPPARDPPARA

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
EP-0342664-B1 2,2-disubstituted benzopyran leukotriene-D4 antagonists SEARLE & CO (US) 1993-12-15 EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 US disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 EP disclosed