SCHEMBL10021176

SCHEMBL10021176

CCCc1ccc(CC(F)(F)C(=O)OCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
MMP8 P22894 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
THRB P10828 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
PLK1 P53350 1/20 0.40
FAAH O00519 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
PIN1 Q13526 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL28033792 0.87 HDAC4 (0.47) ALDH1A1RECQLMMP8HDAC4HDAC6
SCHEMBL3629075 0.85 LMNA (0.50) ALDH1A1RECQLMMP8HDAC4HDAC6
SCHEMBL3920792 0.85 ESR1 (0.47) ALDH1A1RECQLMMP8HDAC4HDAC6
SCHEMBL25223158 0.84 CYP3A4 (0.53) ALDH1A1RECQLMMP8HDAC4HDAC6
SCHEMBL27167976 0.84 LMNA (0.46) ALDH1A1RECQLMMP8HDAC4HDAC6
SCHEMBL2010765 0.83 ALDH1A1 (0.59) ALDH1A1RECQLMMP8THRBTAAR1
SCHEMBL3912206 0.83 ALDH1A1 (0.53) ALDH1A1HDAC4HDAC6NPSR1L3MBTL1
SCHEMBL17357477 0.81 TSHR (0.44) ALDH1A1HDAC4HDAC6CYP4F2CYP4A11
SCHEMBL14955258 0.80 S1PR2 (0.48) ALDH1A1THRBPLK1FAAHPOLB
SCHEMBL31275152 0.79 LMNA (0.46) ALDH1A1POLBL3MBTL1KMT2A

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