SCHEMBL10019630

SCHEMBL10019630

CCCc1ccc(OCc2ccc3c(c2F)C(F)C(F)c2c-3ccc(OCC)c2F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.36
FFAR1 O14842 8/20 0.34
NAAA Q02083 1/20 0.33
PPARD Q03181 4/20 0.32
MAOB P27338 3/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
KDM1A O60341 2/20 0.30

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
SCHEMBL10019646 0.92 CACNA1C (0.38) CACNA1CFFAR1NAAAPPARDMAOB
SCHEMBL10020016 0.89 CACNA1C (0.38) CACNA1CFFAR1NAAAPPARDKDM1A
SCHEMBL10019663 0.89 FFAR1 (0.34) CACNA1CFFAR1NAAAMAOB
SCHEMBL10020156 0.89 CACNA1C (0.39) CACNA1CFFAR1NAAAPPARDMAOB
SCHEMBL10020035 0.89 CACNA1C (0.34) CACNA1CFFAR1NAAAPPARDKDM1A
SCHEMBL10020029 0.88 FFAR4 (0.35) CACNA1CFFAR1MAOBS1PR4S1PR1
SCHEMBL10019631 0.87 CTSL (0.39) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10020030 0.87 CACNA1C (0.39) CACNA1CFFAR1NAAAPPARDMAOB
SCHEMBL10020159 0.86 CTSL (0.40) NAAACTSLCTSSCTSKGABRA1
SCHEMBL10019899 0.86 CTSL (0.40) NAAACTSLCTSSCTSKGABRA1

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