SCHEMBL7751601

SCHEMBL7751601

CC1CCC(CCC2CCC(c3ccc(N)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.52
CYP2C9 P11712 3/20 0.46
ALDH1A1 P00352 1/20 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
ESR1 P03372 6/20 0.41
CYP3A4 P08684 2/20 0.41
SLC18A3 Q16572 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFE2L2 Q16236 1/20 0.37
DGAT1 O75907 2/20 0.36
SOAT1 P35610 1/20 0.36
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL7032389 0.89 ESR2 (0.52) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7752607 0.89 ESR2 (0.63) ESR2CYP2C9ALDH1A1MAPTMEN1
SCHEMBL10778385 0.84 CYP2C9 (0.64) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7753793 0.84 CYP2C9 (0.64) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7747122 0.83 ESR2 (0.57) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7747118 0.83 ESR2 (0.57) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7747115 0.83 ESR2 (0.57) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL20091241 0.83 ESR2 (0.57) ESR2CYP2C9ALDH1A1CYP3A4SLC18A3
SCHEMBL10348563 0.83 CYP2C9 (0.51) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7751598 0.82 ESR2 (0.52) ESR2ALDH1A1CYP3A4SLC18A3SPHK1

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
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