SCHEMBL9398796

SCHEMBL9398796

CCCCCc1ccc(-c2ncc(C(C)C3CCC(CCCCC)CC3)cn2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 8/20 0.35
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RARB P10826 1/20 0.32
SPHK2 Q9NRA0 1/20 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
SCHEMBL9399067 0.90 RAB9A (0.33) LNPEPGAAMAPTKDM4EMEN1
SCHEMBL9399858 0.89 LNPEP (0.33) LNPEPGAAMAPTKDM4EMEN1
SCHEMBL9398626 0.89 GAA (0.33) LNPEPGAAMAPTKDM4EMEN1
SCHEMBL9399427 0.86 S1PR1 (0.38) LNPEPGAAMAPTKDM4EMEN1
SCHEMBL9398912 0.84 LNPEP (0.36) LNPEPGAAMAPT
SCHEMBL9398812 0.84 RARB (0.42) LNPEPGAAMAPTKDM4EMEN1
SCHEMBL9399118 0.84 GAA (0.39) LNPEPGAAMAPTKDM4EMEN1
SCHEMBL9398804 0.84 RARB (0.42) LNPEPGAAMAPTKDM4EMEN1
SCHEMBL9399125 0.84 GAA (0.39) LNPEPGAAMAPTKDM4EMEN1
SCHEMBL9398909 0.81 RAB9A (0.34) LNPEPGAAMAPTKDM4EMEN1

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 6 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