SCHEMBL10021271

SCHEMBL10021271

CCOc1ccc(OC(=O)CCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.45
KLK7 P49862 3/20 0.37
CYP19A1 P11511 1/20 0.36
TOP2A P11388 2/20 0.34
ACACB O00763 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6520754 0.93 HPGD (0.45) HPGDKLK7TOP2AACACBKMT2A
SCHEMBL6520750 0.93 HPGD (0.45) HPGDKLK7TOP2AACACBKMT2A
SCHEMBL6517546 0.93 HPGD (0.45) HPGDKLK7TOP2AACACBKMT2A
SCHEMBL14340375 0.85 HPGD (0.45) HPGDKLK7TOP2AKMT2A
SCHEMBL9562690 0.82 HPGD (0.43) HPGDCYP19A1KMT2A
SCHEMBL9562686 0.82 HPGD (0.43) HPGDCYP19A1KMT2A
SCHEMBL9562350 0.78 HPGD (0.46) HPGDCYP19A1KMT2A
SCHEMBL9562353 0.78 HPGD (0.46) HPGDCYP19A1KMT2A
SCHEMBL7910505 0.78 HPGD (0.42) HPGDKMT2A
SCHEMBL7910502 0.78 HPGD (0.42) HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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