SCHEMBL9399031

SCHEMBL9399031

CCCCCc1ncc(CCc2ccc(OCCCC)c(F)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.46
S1PR2 O95136 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GLA P06280 1/20 0.45
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APAF1 O14727 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRA P10827 1/20 0.39
NPC1 O15118 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL9399771 0.96 S1PR2 (0.45) S1PR1S1PR2S1PR3LPAR2SMN1; SMN2
SCHEMBL9399243 0.86 SMN1; SMN2 (0.56) S1PR1S1PR2S1PR3LPAR2SMN1; SMN2
SCHEMBL9398679 0.85 S1PR1 (0.41) S1PR1SMN1; SMN2HTTMAPTL3MBTL1
SCHEMBL9399009 0.85 SMN1; SMN2 (0.50) S1PR1S1PR2S1PR3LPAR2SMN1; SMN2
SCHEMBL9398975 0.84 GLA (0.55) S1PR1S1PR2S1PR3LPAR2SMN1; SMN2
SCHEMBL9399542 0.84 SMN1; SMN2 (0.61) S1PR1S1PR2S1PR3LPAR2SMN1; SMN2
SCHEMBL9399313 0.84 S1PR1 (0.42) S1PR1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL9399184 0.83 FAAH (0.40) S1PR1S1PR2S1PR3LPAR2THRB
SCHEMBL9398910 0.83 S1PR1 (0.56) S1PR1S1PR2S1PR3LPAR2SMN1; SMN2
SCHEMBL9399474 0.83 S1PR1 (0.43) S1PR1S1PR2S1PR3LPAR2SMN1; SMN2

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