SCHEMBL7752389

SCHEMBL7752389

CCC1CCC(c2ccc(N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.46
ESR2 Q92731 9/20 0.44
ESR1 P03372 6/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SPHK1 Q9NYA1 1/20 0.40
SLC18A3 Q16572 1/20 0.40
CYP2D6 P10635 1/20 0.40
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
DRD2 P14416 1/20 0.36

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
SCHEMBL7753785 0.94 CYP2C9 (0.43) CYP2C9ESR2ESR1CYP3A4ALDH1A1
SCHEMBL7752369 0.94 CYP2C9 (0.43) CYP2C9ESR2ESR1CYP3A4ALDH1A1
SCHEMBL21474502 0.94 CYP2C9 (0.43) CYP2C9ESR2ESR1CYP3A4ALDH1A1
SCHEMBL7752372 0.94 CYP2C9 (0.43) CYP2C9ESR2ESR1CYP3A4ALDH1A1
SCHEMBL7752367 0.94 CYP2C9 (0.43) CYP2C9ESR2ESR1CYP3A4ALDH1A1
SCHEMBL7753027 0.91 CYP3A4 (0.47) CYP2C9ESR2ESR1CYP3A4ALDH1A1
SCHEMBL7927968 0.91 SPHK1 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8468976 0.90 ALDH1A1 (0.45) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL11187439 0.89 ESR2 (0.52) CYP2C9ESR2ESR1CYP3A4ALDH1A1
SCHEMBL11187444 0.89 ESR2 (0.52) CYP2C9ESR2ESR1CYP3A4ALDH1A1

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-1064329-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2001-01-03 EP disclosed
EP-1064319-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2001-01-03 EP disclosed
WO-1999033902-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-08 WO disclosed
WO-1999033923-A1 POLYAMIC ACID COMPOSITION, LIQUID CRYSTAL ALIGNING FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-08 WO disclosed