SCHEMBL9634205

SCHEMBL9634205

COC(=O)c1ccc(CC2=CCc3ccc(NC(=O)CC4CCCC4)cc32)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.53
CYSLTR1 Q9Y271 8/20 0.53
NAMPT P43490 1/20 0.53
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL9635034 0.93 CYSLTR2 (0.62) CYSLTR2CYSLTR1NAMPTRAB9AMEN1
SCHEMBL9635012 0.83 CYP1A2 (0.46) CYSLTR2CYSLTR1MEN1KMT2ACYP1A2
SCHEMBL9647175 0.79 MAPT (0.44) MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9633653 0.79 CYSLTR2 (0.60) CYSLTR2CYSLTR1NAMPT
Hydrochloric Acid SCHEMBL9635452 0.78 MAPT (0.43) RAB9AMEN1KMT2ANPC1HPGD
SCHEMBL8951494 0.78 CYSLTR2 (0.59) CYSLTR2CYSLTR1NAMPT
SCHEMBL9634219 0.78 MEN1 (0.35) CYSLTR2CYSLTR1NAMPTRAB9AMEN1
SCHEMBL8951243 0.78 CYSLTR1 (0.71) CYSLTR2CYSLTR1EPHX2
SCHEMBL9479571 0.77 NAMPT (0.54) CYSLTR2CYSLTR1NAMPTRAB9ANPC1
SCHEMBL8951199 0.77 CYSLTR2 (0.87) CYSLTR2CYSLTR1

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-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP disclosed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US disclosed
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 EP disclosed