SCHEMBL8939598

SCHEMBL8939598

CCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CO4)cc3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.34
KDM1A O60341 2/20 0.33
PPARD Q03181 1/20 0.32
FPR2 P25090 4/20 0.31
S1PR1 P21453 1/20 0.30
ESR1 P03372 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL8939605 0.97 FASN (0.34) FASNKDM1APPARDFPR2
SCHEMBL8939716 0.96 FASN (0.33) FASNKDM1APPARDFPR2
SCHEMBL8939607 0.96 FASN (0.33) FASNKDM1APPARDFPR2
SCHEMBL8939604 0.96 FASN (0.33) FASNKDM1APPARDFPR2
SCHEMBL8939617 0.96 FASN (0.33) FASNKDM1APPARDFPR2
SCHEMBL8939715 0.95 KDM1A (0.32) FASNKDM1APPARDFPR2S1PR1
SCHEMBL8939733 0.95 FPR2 (0.35) FASNKDM1AFPR2GRIN1GRIN2B
SCHEMBL8939887 0.94 KDM1A (0.32) FASNKDM1APPARDFPR2
SCHEMBL8939579 0.94 KDM1A (0.37) FASNKDM1AFPR2GRIN1GRIN2B
SCHEMBL8939732 0.94 KDM1A (0.32) FASNKDM1APPARDFPR2

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
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed