SCHEMBL9399243

SCHEMBL9399243

CCCCOc1ccc(CCc2ccc(OCCCC)c(F)c2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
GLA P06280 1/20 0.56
S1PR1 P21453 3/20 0.49
S1PR2 O95136 1/20 0.49
S1PR3 Q99500 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49
FAAH O00519 1/20 0.45
BIRC5 O15392 1/20 0.44
THRB P10828 2/20 0.44
THRA P10827 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
APAF1 O14727 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9398975 0.98 GLA (0.55) SMN1; SMN2GLAS1PR1S1PR2S1PR3
SCHEMBL9398910 0.93 S1PR1 (0.56) SMN1; SMN2GLAS1PR1S1PR2S1PR3
SCHEMBL9399009 0.92 SMN1; SMN2 (0.50) SMN1; SMN2GLAS1PR1S1PR2S1PR3
SCHEMBL6468437 0.89 S1PR1 (0.49) SMN1; SMN2GLAS1PR1S1PR2S1PR3
SCHEMBL12522468 0.86 S1PR1 (0.50) SMN1; SMN2GLAS1PR1S1PR2S1PR3
SCHEMBL12522476 0.86 GLA (0.50) SMN1; SMN2GLAS1PR1S1PR2S1PR3
SCHEMBL9399031 0.86 S1PR1 (0.46) SMN1; SMN2GLAS1PR1S1PR2S1PR3
SCHEMBL12447022 0.86 CSNK2A1 (0.46) SMN1; SMN2GLAS1PR1S1PR2S1PR3
SCHEMBL9399771 0.85 S1PR2 (0.45) SMN1; SMN2GLAS1PR1S1PR2S1PR3
SCHEMBL19608555 0.84 S1PR1 (0.54) SMN1; SMN2GLAS1PR1S1PR2S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed