SCHEMBL9399770

SCHEMBL9399770

CCCCCC1CCC(c2cnc(-c3ccc(OCCCC)c(Cl)c3)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 2/20 0.41
GRM2 Q14416 5/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
S1PR1 P21453 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL9399760 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HSD17B10PPARG
SCHEMBL9399876 0.88 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2HSD17B10GRM2
SCHEMBL9399872 0.88 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2HSD17B10GRM2
SCHEMBL9399469 0.87 GRM2 (0.47) NPC1RAB9ASMN1; SMN2HSD17B10PPARG
SCHEMBL9399460 0.87 GRM2 (0.47) NPC1RAB9ASMN1; SMN2HSD17B10PPARG
SCHEMBL9399654 0.87 TLR9 (0.41) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9398946 0.87 RAB9A (0.39) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9398955 0.87 RAB9A (0.39) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9399643 0.87 TLR9 (0.41) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL9583453 0.86 FPR2 (0.37) SMN1; SMN2PPARGPPARAGRM2GLA

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