SCHEMBL7592397

SCHEMBL7592397

CC(C)c1[c]c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
MAPK14 Q16539 8/20 0.36
MAPK10 P53779 2/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1D P48730 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
GCGR P47871 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL7557410 0.73 P2RX3 (0.33) ADORA2AADORA1MAPK14MAPK10MAPK9
SCHEMBL9302519 0.69 ADORA2A (0.43) ADORA2AMAPK14MAPK10MAPTALDH1A1
SCHEMBL7562637 0.68 GCGR (0.44) ADORA2AADORA1MAPK14HTR2AHTR2C
SCHEMBL9302391 0.66 APP (0.42) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL526996 0.65 GCGR (0.56) GCGR
SCHEMBL26980344 0.64 MAPK10 (0.40) MAPK14MAPK10MAPK9CSNK1DGCGR
SCHEMBL9302679 0.64 S1PR2 (0.37) MAPK14GCGRNPC1RAB9AMAPT
SCHEMBL7565046 0.62 HTR2A (0.37) MAPK14HTR2AHTR2CHTR2BMAPK13
SCHEMBL9646759 0.61 GCGR (0.34) GCGR
SCHEMBL12277718 0.61 MAPK14 (0.43) MAPK14MAPK10MAPK9CSNK1DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP claimed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP claimed
EP-0705837-B1 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES (JP) 2002-08-07 EP disclosed
US-5744604-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
US-5677455-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0641762-B1 Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES (JP) 1997-05-28 EP disclosed
EP-0705837-A2 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1996-04-10 EP disclosed
US-5457225-A Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES LTD. (JP) 1995-10-10 US disclosed
EP-0641762-A1 Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US disclosed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP disclosed
US-5276154-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-04 US disclosed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP disclosed