SCHEMBL14960960

SCHEMBL14960960

CCCCCC1CCC(CC(F)COc2ccc(OCC(F)CC3CCC(CCC)CC3)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL14961028 0.92 TRPV1 (0.34) GAAMAPT
SCHEMBL14960998 0.92 KDM1A (0.32)
SCHEMBL10021286 0.91 KDM1A (0.35) CYP2C9MAPT
SCHEMBL16130730 0.89 CYP2C9 (0.32) CYP2C9MAPT
SCHEMBL14960854 0.89 HPGD (0.30)
SCHEMBL10021283 0.88 KDM1A (0.33) CYP2C9
SCHEMBL14961050 0.86 HPGD (0.31)
SCHEMBL10021453 0.83 GRIN1 (0.32)
SCHEMBL14961024 0.82 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL14961019 0.82 ITGB3 (0.30) ITGB3ITGA2B

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 2 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-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