SCHEMBL10021028

SCHEMBL10021028

CCCC1CCC(C(O)C(F)C(=O)OCC)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
METAP2 P50579 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL10021482 0.96 TLR4 (0.34) L3MBTL1METAP2ALDH1A1CYP2C9TSHR
SCHEMBL6838714 0.79 L3MBTL1 (0.50) L3MBTL1METAP2ALDH1A1CYP2C9TSHR
SCHEMBL10355262 0.79 L3MBTL1 (0.50) L3MBTL1METAP2ALDH1A1CYP2C9TSHR
SCHEMBL10021026 0.76 CYP2C9 (0.35) L3MBTL1METAP2ALDH1A1CYP2C9TSHR
SCHEMBL7040043 0.74 UGT2B7 (0.39) L3MBTL1METAP2ALDH1A1CYP2C9TSHR
SCHEMBL7040044 0.74 UGT2B7 (0.39) L3MBTL1METAP2ALDH1A1CYP2C9TSHR
SCHEMBL21500406 0.73 L3MBTL1 (0.47) L3MBTL1METAP2ALDH1A1CYP2C9TSHR
SCHEMBL12646819 0.73 L3MBTL1 (0.35) L3MBTL1METAP2ALDH1A1CYP2C9TSHR
SCHEMBL10021483 0.73 TLR4 (0.36) L3MBTL1METAP2ALDH1A1CYP2C9TSHR
SCHEMBL10021164 0.72 TLR4 (0.34) L3MBTL1METAP2CYP2C9MAPT

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