SCHEMBL10019871

SCHEMBL10019871

CCOc1ccc(C(=O)Oc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAOB P27338 4/20 0.38
CPS1 P31327 2/20 0.38
FFAR1 O14842 5/20 0.37
PPARD Q03181 4/20 0.37
MAOA P21397 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PTGS2 P35354 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10019672 0.93 KDM4E (0.41) KDM4EMAOBCPS1FFAR1PPARD
SCHEMBL10019356 0.87 ALDH1A1 (0.34) KDM4EPTGS2SMN1; SMN2
SCHEMBL15257942 0.87 ALDH1A1 (0.34) KDM4EPTGS2LMNASMN1; SMN2
SCHEMBL10019918 0.87 PDE5A (0.37) MAPTPTGS2SMN1; SMN2
SCHEMBL10019670 0.87 ESR1 (0.39) KDM4EFFAR1PPARDMAPTTHRB
SCHEMBL10019358 0.85 KDM4E (0.39) KDM4EMAPTTHRBLMNATP53
SCHEMBL10019799 0.84 KMT2A (0.43) MAPTTHRBLMNATP53
SCHEMBL10019919 0.83 PDE5A (0.32) MAPTPTGS2SMN1; SMN2
SCHEMBL10019878 0.83 KDM4E (0.41) KDM4EMAOBCPS1FFAR1PPARD
SCHEMBL10019667 0.83 ESR1 (0.36) KDM4EFFAR1PPARDMAPTTHRB

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