SCHEMBL9348579

SCHEMBL9348579

CC1CCC(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.52
ESR1 P03372 6/20 0.52
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPY1R P25929 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL9348569 1.00 ESR2 (0.52) ESR2ESR1ALDH1A1CYP1A2MAPT
SCHEMBL9352654 1.00 ESR2 (0.52) ESR2ESR1ALDH1A1CYP1A2MAPT
SCHEMBL10436113 0.94 ESR2 (0.53) ESR2ESR1ALDH1A1CYP1A2MAPT
SCHEMBL237553 0.89 ESR2 (0.59) ESR2ESR1ALDH1A1CYP1A2MAPT
SCHEMBL45825 0.89 ESR2 (0.64) ESR2ESR1ALDH1A1MAPTHPGD
SCHEMBL8148479 0.84 ESR2 (0.53) ESR2ESR1ALDH1A1
SCHEMBL9348671 0.83 ESR2 (0.48) ESR2ESR1CYP2C9
SCHEMBL9348682 0.83 ESR2 (0.48) ESR2ESR1CYP2C9
SCHEMBL9348750 0.83 ESR2 (0.48) ESR2ESR1CYP2C9
SCHEMBL6367112 0.82 ALDH1A1 (0.50) ALDH1A1

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
US-8840807-B2 Polymerizable compound JNC CORPORATION (JP) 2014-09-23 US disclosed
EP-0389092-B1 Liquid crystal-aligning coating and liquid crystal element CHISSO CORP (JP) 1994-09-07 EP disclosed
US-5152918-A Cyclohexyl aromatic polyimides; controlling pretilt angle CHISSO CORPORATION (JP) 1992-10-06 US disclosed
EP-0389092-A1 Liquid crystal-aligning coating and liquid crystal element CHISSO CORPORATION (JP) 1990-09-26 EP disclosed