SCHEMBL9301099

SCHEMBL9301099

CC(C)c1[c]c(-c2ccccc2)c2cc(Cl)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 3/20 0.48
FABP4 P15090 3/20 0.48
FABP5 Q01469 2/20 0.48
MAPK1 P28482 4/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 6/20 0.45
MAT2A P31153 1/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 1/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL8703691 0.82 ACP1 (0.41) HTTALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL9302376 0.74 FABP4 (0.46) FABP3FABP4FABP5MAPK1HTT
SCHEMBL9302519 0.72 ADORA2A (0.43) HTTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9302391 0.72 APP (0.42) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3486575 0.67 KDM4E (0.71) MAPK1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL13585806 0.66 KDM4E (0.58) FABP3FABP4FABP5MAPK1ALDH1A1
SCHEMBL14951901 0.65 MAOA (0.55) FABP3FABP4HTTALDH1A1SMN1; SMN2
SCHEMBL14917093 0.65 FABP4 (1.00) FABP3FABP4FABP5MAPK1HTT
SCHEMBL28883104 0.65 MAPK1 (0.61) FABP3FABP4MAPK1HTTNPC1
SCHEMBL3321035 0.64 FABP4 (0.62) FABP3FABP4FABP5MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US claimed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP claimed
US-5276154-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-04 US claimed
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