SCHEMBL9399542

SCHEMBL9399542

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
GLA P06280 1/20 0.61
BACE1 P56817 1/20 0.49
CSNK2A1 P68400 2/20 0.49
ATM Q13315 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 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
SCHEMBL9399508 0.96 SMN1; SMN2 (0.60) SMN1; SMN2GLABACE1CSNK2A1ATM
SCHEMBL9399818 0.84 SMN1; SMN2 (0.77) SMN1; SMN2GLABACE1CSNK2A1ATM
SCHEMBL9399031 0.84 S1PR1 (0.46) SMN1; SMN2GLAMEN1KMT2ANPC1
SCHEMBL9399207 0.83 GLA (0.43) SMN1; SMN2GLAATMS1PR2S1PR1
SCHEMBL9398842 0.83 SMN1; SMN2 (0.70) SMN1; SMN2GLABACE1CSNK2A1ATM
SCHEMBL9399068 0.83 SMN1; SMN2 (0.49) SMN1; SMN2GLABACE1CSNK2A1ATM
SCHEMBL9399294 0.82 SMN1; SMN2 (0.39) SMN1; SMN2GLAATMMEN1KMT2A
SCHEMBL9398654 0.82 SMN1; SMN2 (0.65) SMN1; SMN2GLABACE1CSNK2A1ATM
SCHEMBL9399864 0.82 SMN1; SMN2 (0.48) SMN1; SMN2GLABACE1CSNK2A1ATM
SCHEMBL9398549 0.81 RAB9A (0.41) SMN1; SMN2GLAATMMEN1KMT2A

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