SCHEMBL9399009

SCHEMBL9399009

CCCCCCCc1ccc(CCc2ccc(OCCCC)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
LPAR2 Q9HBW0 1/20 0.50
GLA P06280 1/20 0.50
HTR2A P28223 1/20 0.49
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
USP2 O75604 1/20 0.47
CASP1 P29466 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 2/20 0.46

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 0.94 GLA (0.55) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL9398910 0.92 S1PR1 (0.56) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL9399243 0.92 SMN1; SMN2 (0.56) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL10976307 0.88 RARB (0.59) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL10983275 0.88 RARB (0.59) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL9399694 0.88 RARB (0.59) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL10978778 0.88 RARB (0.59) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL10977024 0.88 RARB (0.59) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL10982546 0.88 RARB (0.59) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL10976084 0.88 RARB (0.59) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2

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