SCHEMBL14767243

SCHEMBL14767243

CCOc1ccc(C(=O)OC2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
HCRTR2 O43614 5/20 0.33
MRGPRX1 Q96LB2 3/20 0.33
TSPO P30536 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM2 Q14416 2/20 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
SCHEMBL14766350 1.00 MAPT (0.37) MAPTSMN1; SMN2ACACBMEN1KMT2A
SCHEMBL14922550 0.95 MAPT (0.40) MAPTSMN1; SMN2ACACBMEN1KMT2A
SCHEMBL14922593 0.91 SCN9A (0.41) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL14766370 0.91 SMN1; SMN2 (0.37) MAPTSMN1; SMN2ACACBMEN1KMT2A
SCHEMBL12741064 0.91 MAPT (0.37) MAPTSMN1; SMN2MEN1KMT2ACAMKK1
SCHEMBL12822542 0.91 SMN1; SMN2 (0.37) MAPTSMN1; SMN2ACACBMEN1KMT2A
SCHEMBL12737601 0.91 MAPT (0.37) MAPTSMN1; SMN2MEN1KMT2ACAMKK1
SCHEMBL15381579 0.91 MAPT (0.37) MAPTSMN1; SMN2ACACBMEN1KMT2A
SCHEMBL15381720 0.91 MAPT (0.37) MAPTSMN1; SMN2ACACBMEN1KMT2A
SCHEMBL14767067 0.91 SCN9A (0.37) MAPTSMN1; SMN2ACACBMEN1KMT2A

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