SCHEMBL9399771

SCHEMBL9399771

CCCCCc1cnc(CCc2ccc(OCCCC)c(F)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 2/20 0.41
APAF1 O14727 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAD52 P43351 2/20 0.40
RAB9A P51151 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL9399031 0.96 S1PR1 (0.46) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL9399009 0.86 SMN1; SMN2 (0.50) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL9398577 0.85 S1PR1 (0.42) S1PR1SMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL9399243 0.85 SMN1; SMN2 (0.56) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL9399508 0.85 SMN1; SMN2 (0.60) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL9399490 0.84 S1PR1 (0.43) S1PR1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL9399422 0.83 FAAH (0.40) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL9398975 0.83 GLA (0.55) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL9817360 0.83 MAPT (0.54) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL9399313 0.83 S1PR1 (0.42) S1PR1SMN1; SMN2MAPTL3MBTL1MEN1

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 7 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-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