SCHEMBL8890679

SCHEMBL8890679

CC1(C)Oc2ccc(O)cc2C(=O)C1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.38
CYSLTR2 Q9NS75 3/20 0.38
CA2 P00918 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.33
KDM1A O60341 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CA1 P00915 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL8889251 0.87 CYSLTR1 (0.38) CYSLTR1CYSLTR2CA2PTGS1PTGS2
SCHEMBL8900137 0.79 MAOB (0.43) CYSLTR1CYSLTR2CA2PTGS1PTGS2
SCHEMBL8889330 0.78 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL8890954 0.72 CYP19A1 (0.53) CA2MAPTCYP3A4CYP2D6ESR1
SCHEMBL8889605 0.70 LTB4R (0.54) CYSLTR1CYSLTR2
SCHEMBL8890267 0.68 CYP19A1 (0.50) CA2PTGS1PTGS2KDM1ACA1
SCHEMBL8889873 0.68 CYP3A4 (0.49) CYSLTR1CYSLTR2PTGS1PTGS2MAPT
SCHEMBL9200704 0.67 CA2 (0.61) CYSLTR1CYSLTR2CA2MAPTKDM1A
SCHEMBL19567186 0.66 PTGS1 (0.63) CA2PTGS1PTGS2MAPTKDM1A
SCHEMBL8889902 0.65 MAOB (0.44) MAPTCYP3A4CYP2D6SLC6A2SLC6A4

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-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed
EP-0665842-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1995-08-09 EP disclosed
WO-1994008996-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1994-04-28 WO disclosed