SCHEMBL15329944

SCHEMBL15329944

CCCC1CCC(C2CCC(c3ccc(OCC)cc3F)C(O)O2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.33
FFAR1 O14842 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
NLRP3 Q96P20 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CPS1 P31327 2/20 0.31
GPR119 Q8TDV5 1/20 0.30
PPARD Q03181 1/20 0.30
PTGS2 P35354 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
SCHEMBL15339935 0.99 NPY2R (0.33) NPY2RFFAR1NPC1CASP3RAB9A
SCHEMBL7042559 0.83 S1PR1 (0.30)
SCHEMBL7042561 0.83 S1PR1 (0.30)
SCHEMBL7042562 0.83 S1PR1 (0.30)
SCHEMBL9898351 0.82
SCHEMBL15329270 0.81 OPRL1 (0.35) NPY2R
SCHEMBL15339933 0.80 OPRL1 (0.35) NPY2R
SCHEMBL9898765 0.80 S1PR1 (0.32)
SCHEMBL15329604 0.78 NPC1 (0.33) NPY2RFFAR1NPC1CASP3RAB9A
SCHEMBL15339934 0.77 NPC1 (0.32) NPY2RNPC1CASP3RAB9ASENP8

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-9102871-B2 Liquid crystal compound showing negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-11 US disclosed
US-20130277610-A1 LIQUID CRYSTAL COMPOUND SHOWING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-10-24 US disclosed