SCHEMBL10020067

SCHEMBL10020067

CCCc1ccc(C(=O)Oc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
FFAR4 Q5NUL3 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
MRGPRX4 Q96LA9 1/20 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
SCHEMBL10019354 0.98 CTSL (0.37) CTSLCTSSCTSKFFAR4GABRA1
SCHEMBL15257942 0.91 ALDH1A1 (0.34) ALDH1A1HTTMRGPRX4
SCHEMBL10020049 0.89 FFAR4 (0.31) CTSLCTSSCTSKFFAR4
SCHEMBL10019356 0.89 ALDH1A1 (0.34) ALDH1A1HTTMRGPRX4
SCHEMBL10020056 0.88 ELANE (0.35) CTSLCTSSCTSK
SCHEMBL10019355 0.87 FFAR4 (0.31) CTSLCTSSCTSKFFAR4
SCHEMBL10019362 0.86 ELANE (0.35) CTSLCTSSCTSK
SCHEMBL10020040 0.86 CTSL (0.35) CTSLCTSSCTSK
SCHEMBL10019667 0.86 ESR1 (0.36) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10019918 0.84 PDE5A (0.37) GABRA1GABRB2ALDH1A1HTT

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