SCHEMBL9326562

SCHEMBL9326562

CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 3/20 0.39
CYP3A4 P08684 2/20 0.34
ESR1 P03372 1/20 0.34
DGAT1 O75907 6/20 0.34
SOAT1 P35610 2/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.32
ANPEP P15144 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
NPC1 O15118 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
SCHEMBL9326566 1.00 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9326571 1.00 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL21626051 0.99 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5886439 0.99 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL764865 0.99 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8735076 0.94 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8527865 0.94 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8735078 0.94 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8735075 0.94 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8078924 0.94 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6092881-A None JP disclosed
JP-H0692881-A 3,4,5-TRIFLUOROBIPHENYL DERIVARTIVE DAINIPPON INK & CHEM INC 1994-04-05 JP disclosed