SCHEMBL9399513

SCHEMBL9399513

CCCCCC1CCC(CCc2ncc(-c3ccc(OCCCC)c(Cl)c3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
GRM2 Q14416 5/20 0.40
S1PR1 P21453 1/20 0.39
ATM Q13315 1/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMO O15229 1/20 0.35

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
SCHEMBL9399502 1.00 SMN1; SMN2 (0.41) SMN1; SMN2GLAGRM2S1PR1ATM
SCHEMBL9399413 0.87 GRM2 (0.40) SMN1; SMN2GLAGRM2S1PR1ATM
SCHEMBL9399399 0.87 GRM2 (0.40) SMN1; SMN2GLAGRM2S1PR1ATM
SCHEMBL9399851 0.87 KDM4E (0.35) S1PR1HPGDMEN1KMT2AKDM4E
SCHEMBL9399856 0.87 KDM4E (0.35) S1PR1HPGDMEN1KMT2AKDM4E
SCHEMBL9399841 0.87 TLR7 (0.43) GRM2S1PR1HRH3
SCHEMBL9399834 0.87 TLR7 (0.43) GRM2S1PR1HRH3
SCHEMBL9399633 0.86 GRM2 (0.45) SMN1; SMN2GLAGRM2S1PR1ATM
SCHEMBL9399624 0.86 GRM2 (0.45) SMN1; SMN2GLAGRM2S1PR1ATM
SCHEMBL9399149 0.86 GRM2 (0.37) GRM2S1PR1HPGDTP53KMO

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