SCHEMBL7634458

SCHEMBL7634458

CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC(CCCc2ccccc2)O3)c1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
PLK1 P53350 3/20 0.38
PLK3 Q9H4B4 3/20 0.38
HTR1F P30939 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 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
SCHEMBL7630394 0.91 RAB9A (0.48) RAB9ACYSLTR2CYSLTR1PLK1PLK3
SCHEMBL7627971 0.86 RAB9A (0.46) RAB9AITGB3ITGA2BHTR1FMAPT
SCHEMBL7631342 0.81 RAB9A (0.42) RAB9APLK1PLK3MTNR1AMTNR1B
SCHEMBL7626468 0.79 GPR35 (0.56) CYSLTR2CYSLTR1
SCHEMBL7633140 0.79 HSD17B13 (0.38) RAB9ACYSLTR2CYSLTR1PLK1PLK3
SCHEMBL7626547 0.79 RAB9A (0.47) RAB9AHTR1FLMNAMAPT
SCHEMBL7629779 0.79 RAB9A (0.52) RAB9ALMNAMAPT
SCHEMBL7632498 0.78 TDP1 (0.44) ITGB3ITGA2BLMNAMAPT
SCHEMBL7626734 0.78 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL7636279 0.77 MTNR1A (0.47) MTNR1AMTNR1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed
EP-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO disclosed