SCHEMBL9399064

SCHEMBL9399064

CCCCCCCCOc1cnc(-c2ccc(CC[C@H]3CC[C@H](CCC)CC3)c(C)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CNR2 P34972 8/20 0.37
CNR1 P21554 5/20 0.36
MAPT P10636 2/20 0.35
RARB P10826 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL9399299 0.96 RAB9A (0.38) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9399202 0.96 NPC1 (0.42) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9432823 0.94 RAB9A (0.41) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9398916 0.87 RARB (0.46) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9399176 0.84 GRM2 (0.38) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10578843 0.83 RAB9A (0.49) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10578839 0.83 RAB9A (0.49) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9398919 0.83 RAB9A (0.34) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9398909 0.83 RAB9A (0.34) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9399334 0.83 RARB (0.46) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10

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