SCHEMBL10019644

SCHEMBL10019644

CCCC1CC=C(c2ccc3c(c2F)C(F)C(F)c2c-3ccc(OCC)c2F)CC1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
NLRP3 Q96P20 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL31722819 0.90 NPC1 (0.34) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL13378230 0.90 NPC1 (0.34) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL10019679 0.89
SCHEMBL9406030 0.86 NPC1 (0.32) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL9405850 0.86 NPC1 (0.32) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL8938724 0.85 ESR2 (0.36) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL13378147 0.83 CCNT1 (0.32) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL2889966 0.83 ESR1 (0.33) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL13378881 0.83 PDE5A (0.32) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL10019656 0.83 HTR2C (0.31)

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