SCHEMBL10020105

SCHEMBL10020105

CCCC1CCC(OC(=O)c2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MRGPRX1 Q96LB2 3/20 0.32
FFAR4 Q5NUL3 1/20 0.31
TSPO P30536 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCRTR1 O43613 4/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP2C9 P11712 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
SCHEMBL10020087 0.90 MAPT (0.30) MAPTSMN1; SMN2MRGPRX1
SCHEMBL10020179 0.89 MAPT (0.34) MAPTSMN1; SMN2MRGPRX1FFAR4TSPO
SCHEMBL9406321 0.87 CYP2C9 (0.36) MAPTSMN1; SMN2MRGPRX1FFAR4TSPO
SCHEMBL9406318 0.87 CYP2C9 (0.36) MAPTSMN1; SMN2MRGPRX1FFAR4TSPO
SCHEMBL10020091 0.83 MAPT (0.33) MAPTSMN1; SMN2MRGPRX1FFAR4TSPO
SCHEMBL12737594 0.82 CYP2C9 (0.36) MAPTSMN1; SMN2MRGPRX1TSPOHTT
SCHEMBL12741056 0.82 CYP2C9 (0.36) MAPTSMN1; SMN2MRGPRX1TSPOHTT
SCHEMBL10019611 0.82 RIPK1 (0.34)
SCHEMBL10020047 0.82 HPGD (0.40) MAPTSMN1; SMN2FFAR4CYP2C9
SCHEMBL10019885 0.81 CYP2C9 (0.32) MAPTHTTCYP2C9

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