SCHEMBL9398909

SCHEMBL9398909

CCCCCc1ccc(-c2ncc(OCC3CCC(CCCCC)CC3)cn2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
LNPEP Q9UIQ6 4/20 0.33
CNR2 P34972 3/20 0.33
GRM2 Q14416 3/20 0.33
NPC1 O15118 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
RARB P10826 1/20 0.33

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
SCHEMBL9398919 1.00 RAB9A (0.34) RAB9AKDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9399526 0.89 GRM2 (0.39) RAB9AKDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9399519 0.89 GRM2 (0.39) RAB9AKDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9398793 0.88 RAB9A (0.34) RAB9AKDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9398788 0.88 RAB9A (0.34) RAB9AKDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9399322 0.88 CNR2 (0.37) RAB9AKDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9399312 0.88 CNR2 (0.37) RAB9AKDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9432823 0.87 RAB9A (0.41) RAB9AKDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9399299 0.87 RAB9A (0.38) RAB9AKDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL9398678 0.87 XDH (0.42) KDM1AMAOBAKT1

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