SCHEMBL10020035

SCHEMBL10020035

CCOc1ccc(CCc2ccc3c(c2F)C(F)C(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NAAA Q02083 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 2/20 0.32
FFAR1 O14842 5/20 0.32
PPARD Q03181 3/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
BRCA1 P38398 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL10020156 0.90 CACNA1C (0.39) CACNA1CALDH1A1NAAAKDM1AKDM4E
SCHEMBL10019630 0.89 CACNA1C (0.36) CACNA1CNAAAKDM1AFFAR1PPARD
SCHEMBL10020185 0.88 CTSL (0.36) NAAAKDM1A
SCHEMBL10020016 0.88 CACNA1C (0.38) CACNA1CALDH1A1NAAAKDM1AKDM4E
SCHEMBL10019836 0.88 CALM1 (0.36) FFAR1FFAR4
SCHEMBL10020033 0.87 GABRA1 (0.38) ALDH1A1NAAAKDM1AKDM4E
SCHEMBL10019646 0.87 CACNA1C (0.38) CACNA1CNAAAKDM1AFFAR1PPARD
SCHEMBL10020037 0.86 GABRA1 (0.37) ALDH1A1NAAAKDM1AKDM4E
SCHEMBL10020065 0.85 TUBB1 (0.35) NAAAKDM1A
SCHEMBL10020114 0.85 CTSL (0.41) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2669263-B1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-22 EP disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
WO-2012086437-A1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC株式会社 (JP) 2012-06-28 WO disclosed