SCHEMBL9399444

SCHEMBL9399444

CCCCCCCCCc1ncc(-c2ccc(CC[C@H]3CC[C@H](CCC)CC3)c(C)c2)cn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.34
GRIN2B Q13224 2/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR2 P34972 5/20 0.31
NPC1 O15118 1/20 0.30
STAT3 P40763 1/20 0.30
ATM Q13315 1/20 0.30
CNR1 P21554 4/20 0.30

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
SCHEMBL9399468 0.95 MAPT (0.34) RARBGRIN2BMAPTRAB9ASMN1; SMN2
SCHEMBL9399303 0.91 GAA (0.34) RARBGRIN2BMAPTGAACNR2
SCHEMBL9398642 0.91 GRIN2B (0.34) GRIN2BRAB9AKDM4E
SCHEMBL9398920 0.90 LNPEP (0.35) RARBGRIN2BMAPTGAAMEN1
SCHEMBL9398924 0.90 LNPEP (0.35) RARBGRIN2BMAPTGAAMEN1
SCHEMBL9398830 0.85 MAPT (0.37) RARBMAPTGAAMEN1KMT2A
SCHEMBL9399144 0.84 GRM2 (0.37) RARBGRIN2BCNR2
SCHEMBL9398916 0.83 RARB (0.46) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399336 0.83 MAPT (0.38) RARBMAPTGAAMEN1ALDH1A1
SCHEMBL9398739 0.83 CYP2C9 (0.35) MAPTRAB9AKDM4EMEN1ALDH1A1

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-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-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