SCHEMBL10021283

SCHEMBL10021283

CCCC1CCC(C2CCC(CC(F)COc3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
CYP2C9 P11712 1/20 0.31
TLR4 O00206 1/20 0.30
F11 P03951 1/20 0.30
KLKB1 P03952 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
SCHEMBL10021286 0.96 KDM1A (0.35) KDM1ACYP2C9F11KLKB1
SCHEMBL14960998 0.92 KDM1A (0.32) KDM1A
SCHEMBL16130730 0.89 CYP2C9 (0.32) CYP2C9
SCHEMBL16130653 0.89 ALDH1A1 (0.34) KDM1AF11KLKB1
SCHEMBL10021453 0.88 GRIN1 (0.32) KDM1AF11KLKB1
SCHEMBL10021268 0.88 ACACB (0.31) KDM1ATLR4F11KLKB1
SCHEMBL14960960 0.88 CYP2C9 (0.31) CYP2C9
SCHEMBL10021433 0.87 NPC1 (0.34)
SCHEMBL10021027 0.83 NPC1 (0.36)
SCHEMBL10021506 0.83

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617701-B1 COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-07-27 EP disclosed
US-8846164-B2 Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof JNC CORPORATION (JP) 2014-09-30 US disclosed
US-8846164-B2 Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof JNC CORPORATION (JP) 2014-09-30 US disclosed
US-8846164-B2 Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof JNC CORPORATION (JP) 2014-09-30 US disclosed
EP-2617701-A1 COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2013-07-24 EP disclosed
US-20130126783-A1 COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JNC PETROCHEMICAL CORPORATION (JP) 2013-05-23 US disclosed
US-20130126783-A1 COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JNC PETROCHEMICAL CORPORATION (JP) 2013-05-23 US disclosed
US-20130126783-A1 COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JNC PETROCHEMICAL CORPORATION (JP) 2013-05-23 US disclosed
WO-2012020643-A1 COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 (JP) 2012-02-16 WO disclosed