SCHEMBL16015355

SCHEMBL16015355

Cc1ccc(Oc2ccc(C3CCCCC3)cc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL13335114 0.87 ESR2 (0.44) LMNASLC6A2SLC6A4SLC6A3HPGD
SCHEMBL18027649 0.85 ESR2 (0.44) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL16216729 0.85 SLC6A2 (0.44) HAO1PTGDR2ALDH1A1LMNASLC6A2
SCHEMBL1689320 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL1688853 0.83 SLC6A4 (0.42) LMNASLC6A2SLC6A4SLC6A3HPGD
SCHEMBL16216730 0.82 HAO1 (0.51) HAO1ALDH1A1KDM4ELMNASLC6A2
SCHEMBL1688863 0.82 SLC6A2 (0.41) LMNASLC6A2SLC6A4SLC6A3HPGD
SCHEMBL28452075 0.80 SLC6A4 (0.45) ALDH1A1SLC6A4MAPTTP53KCNH2
SCHEMBL3324256 0.79 HAO1 (0.42) HAO1ALDH1A1KDM4ELMNASLC6A2
SCHEMBL18164421 0.78 PTGDR2 (0.56) PTGDR2ALDH1A1KDM4ELMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264867-A1 LIQUID CRYSTAL ALIGNING AGENT CONTAINING POLYIMIDE PRECURSOR HAVING THERMALLY-LEAVING GROUP AND/OR POLYIMIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-09-15 US disclosed
US-20160244673-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-8829153-B2 Polyimide precursor composition containing polyamic acid alkyl ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-09 US disclosed
US-20120101236-A1 POLYIMIDE PRECURSOR COMPOSITION CONTAINING POLYAMIC ACID ALKYL ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-26 US disclosed