SCHEMBL14960914

SCHEMBL14960914

CCCCCC1CCC(COC2CCC(C(F)CCOc3ccc(OCCC)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ACACB O00763 3/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
FFAR1 O14842 4/20 0.31
PPARD Q03181 4/20 0.31
CRBN Q96SW2 1/20 0.30
PPARG P37231 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
SCHEMBL16130648 0.90 ACACB (0.33) ACACBFFAR1PPARD
SCHEMBL14960952 0.88 PTGES (0.31) PTGESALOX5GPR119ACACBFFAR1
SCHEMBL14960865 0.85 PTGES (0.32) PTGESALOX5GPR119ACACBHTR1D
SCHEMBL14960938 0.83 SCN9A (0.35) PTGESALOX5GPR119ITGB3ITGA2B
SCHEMBL14960888 0.82 SCN9A (0.33) PTGESALOX5GPR119FFAR1PPARD
SCHEMBL9186536 0.78 PTGES (0.43) PTGESALOX5GPR119HTR1DHTR1B
SCHEMBL9186540 0.78 PTGES (0.43) PTGESALOX5GPR119HTR1DHTR1B
SCHEMBL10021419 0.77 KDM1A (0.36) ACACBFFAR1PPARD
SCHEMBL16130591 0.77 FFAR1 (0.32) ACACBFFAR1PPARDSCN9A
SCHEMBL9185564 0.77 THRA (0.43) PTGESALOX5GPR119ITGB3ITGA2B

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