SCHEMBL14960952

SCHEMBL14960952

CCCCCC1CCC(COC2CCC(C(F)C(F)COc3ccc(OCCC)c(F)c3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
FFAR1 O14842 3/20 0.31
PPARD Q03181 3/20 0.31
GPR119 Q8TDV5 1/20 0.31
ACACB O00763 1/20 0.30
SCN9A Q15858 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
SCHEMBL16130591 0.90 FFAR1 (0.32) FFAR1PPARDACACBSCN9A
SCHEMBL14960865 0.88 PTGES (0.32) PTGESALOX5FFAR1PPARDGPR119
SCHEMBL14960914 0.88 PTGES (0.33) PTGESALOX5FFAR1PPARDGPR119
SCHEMBL14960888 0.82 SCN9A (0.33) PTGESALOX5FFAR1PPARDGPR119
SCHEMBL14960938 0.81 SCN9A (0.35) PTGESALOX5FFAR1PPARDGPR119
SCHEMBL16130595 0.78 PPARD (0.33) FFAR1PPARDACACB
SCHEMBL16130648 0.77 ACACB (0.33) FFAR1PPARDACACB
SCHEMBL9186536 0.76 PTGES (0.43) PTGESALOX5FFAR1PPARDGPR119
SCHEMBL9186540 0.76 PTGES (0.43) PTGESALOX5FFAR1PPARDGPR119
SCHEMBL14961109 0.76

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