SCHEMBL9398804

SCHEMBL9398804

CCCCCc1ccc(-c2ncc(CC[C@H]3CC[C@H](CCCCC)CC3)cn2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.42
MAPT P10636 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LNPEP Q9UIQ6 4/20 0.34
NPC1 O15118 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32

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
SCHEMBL9398812 1.00 RARB (0.42) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399334 0.94 RARB (0.46) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399565 0.92 RARB (0.41) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9398916 0.90 RARB (0.46) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399125 0.89 GAA (0.39) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399118 0.89 GAA (0.39) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399084 0.89 RARB (0.42) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399076 0.89 RARB (0.42) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399866 0.88 RARB (0.41) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399862 0.88 RARB (0.41) RARBMAPTRAB9ASMN1; SMN2GAA

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