SCHEMBL8427437

SCHEMBL8427437

COc1cc(C(=O)O)ccc1Cc1c[nH]c2ccc(C(=O)N(C)CCCC(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
CDK4 P11802 8/20 0.41
CCND1 P24385 8/20 0.41
HTR7 P34969 1/20 0.41
PLA2G4A P47712 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.38
CDK2 P24941 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8427079 0.88 GPR84 (0.44) GPR84CDK4CCND1CYSLTR2CYSLTR1
SCHEMBL8422984 0.85 HTR7 (0.42) GPR84CDK4CCND1HTR7CDK2
SCHEMBL8427317 0.79 TLR8 (0.37) CDK4CCND1TLR9TLR8TLR7
SCHEMBL8427130 0.78 GPR84 (0.67) GPR84HTR7PLA2G4ACYSLTR2CYSLTR1
SCHEMBL8427419 0.76 PLA2G4A (0.56) GPR84HTR7PLA2G4ACYSLTR2CYSLTR1
SCHEMBL8427434 0.75 TRPV1 (0.45) GPR84CYSLTR2CYSLTR1CPT1ACPT1B
SCHEMBL8425282 0.74 GPR84 (0.58) GPR84HTR7PLA2G4ACYSLTR2CYSLTR1
SCHEMBL8528458 0.73 GPR84 (0.73) GPR84HTR7CYSLTR2CYSLTR1CPT1A
SCHEMBL29660260 0.73 PLA2G4A (0.58) GPR84HTR7PLA2G4ACYSLTR2CYSLTR1
SCHEMBL6719869 0.73 PLA2G4A (0.58) GPR84HTR7PLA2G4ACYSLTR2CYSLTR1

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-0863873-B1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER (US) 1999-11-10 EP disclosed
US-5965745-A ASTHMA; ANTIARTHRITIC,-SHOCK AGENTS; BRONCHITIS; RESPIRATORY SYSTEM DISEASES, E.G. CHRONIC OBSTRUCTIVE AIRWAYS DISEASES; PSORIASIS; ALLERGIC RHINITIS; ATOPIC DERMATITIS PFIZER INC (US) 1999-10-12 US disclosed
EP-0863873-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1998-09-16 EP disclosed
WO-1997013751-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1997-04-17 WO disclosed