SCHEMBL10020111

SCHEMBL10020111

CCCCCC1CCC(OC(=O)c2ccc3c(c2F)C(F)C(F)c2c-3ccc(CCC)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HTR3E A5X5Y0 2/20 0.30
HTR3B O95264 2/20 0.30
HTR3A P46098 2/20 0.30
HTR3D Q70Z44 2/20 0.30
HTR3C Q8WXA8 2/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL10020186 0.88 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL10020088 0.84 NAAA (0.33) NAAAALDH1A1HTTCTSLCTSS
SCHEMBL9457296 0.84 NAAA (0.38) NAAAALDH1A1HTT
SCHEMBL9457291 0.84 NAAA (0.38) NAAAALDH1A1HTT
SCHEMBL9406319 0.83 NAAA (0.37) NAAAALDH1A1HTTHTR3EHTR3B
SCHEMBL9406315 0.83 NAAA (0.37) NAAAALDH1A1HTTHTR3EHTR3B
SCHEMBL10019837 0.82 GAA (0.31) CTSLCTSSCTSK
SCHEMBL10019803 0.82 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL19621916 0.82 NAAA (0.31) NAAA
SCHEMBL14416410 0.80 NAAA (0.36) NAAAALDH1A1HTT

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