SCHEMBL14765807

SCHEMBL14765807

C=CCOc1ccc(C2CCC(c3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.36
HTR2B P41595 3/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GYS1 P13807 1/20 0.35
HTR2A P28223 5/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
FPR2 P25090 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL14766963 0.94 HTR2C (0.34) HTR2CHTR2BNPC1POLBMAPT
SCHEMBL14766089 0.94 HTR2C (0.34) HTR2CHTR2BNPC1POLBMAPT
SCHEMBL14766471 0.91 GYS1 (0.34) HTR2CHTR2BNPC1POLBMAPT
SCHEMBL14766413 0.91 GYS1 (0.34) HTR2CHTR2BNPC1POLBMAPT
SCHEMBL14765699 0.91 GYS1 (0.31) HTR2CHTR2BNPC1POLBMAPT
SCHEMBL14766316 0.91 GYS1 (0.31) HTR2CHTR2BNPC1POLBMAPT
SCHEMBL14765838 0.90 KDM1A (0.37) HTR2CHTR2BGYS1HTR2ALMNA
SCHEMBL14767122 0.90 JAK1 (0.36) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL14766661 0.90 JAK1 (0.36) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL14766603 0.90 CTSL (0.32) HTR2CHTR2BGYS1HTR2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed