SCHEMBL9399872

SCHEMBL9399872

CCCCC[C@H]1CC[C@H](CCc2cnc(-c3ccc(OCCCC)c(Cl)c3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
GLA P06280 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM2 Q14416 5/20 0.39
S1PR1 P21453 3/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
RARB P10826 1/20 0.37
BACE1 P56817 1/20 0.37
ATM Q13315 1/20 0.36
CSNK2A1 P68400 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
SCHEMBL9399876 1.00 SMN1; SMN2 (0.43) SMN1; SMN2GLANPC1RAB9AHSD17B10
SCHEMBL9399770 0.88 NPC1 (0.41) SMN1; SMN2GLANPC1RAB9AHSD17B10
SCHEMBL9399760 0.88 NPC1 (0.41) SMN1; SMN2GLANPC1RAB9AHSD17B10
SCHEMBL9398568 0.87 RARB (0.37) SMN1; SMN2NPC1RAB9AHSD17B10S1PR1
SCHEMBL9398986 0.87 TLR9 (0.41) SMN1; SMN2GLANPC1RAB9AHSD17B10
SCHEMBL9398573 0.87 RARB (0.37) SMN1; SMN2NPC1RAB9AHSD17B10S1PR1
SCHEMBL9398977 0.87 TLR9 (0.41) SMN1; SMN2GLANPC1RAB9AHSD17B10
SCHEMBL9399469 0.86 GRM2 (0.47) SMN1; SMN2GLANPC1RAB9AHSD17B10
SCHEMBL9399460 0.86 GRM2 (0.47) SMN1; SMN2GLANPC1RAB9AHSD17B10
SCHEMBL9399078 0.86 RARB (0.40) SMN1; SMN2NPC1RAB9AGRM2S1PR1

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