SCHEMBL9399334

SCHEMBL9399334

CCCCCCCCCc1cnc(-c2ccc(CC[C@H]3CC[C@H](CCCCCCCCC)CC3)c(C)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.46
MAPT P10636 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.37
STAT3 P40763 1/20 0.37
ATM Q13315 1/20 0.37
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CASP3 P42574 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
SCHEMBL9399565 0.96 RARB (0.41) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9398916 0.96 RARB (0.46) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9398804 0.94 RARB (0.42) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9398812 0.94 RARB (0.42) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9432823 0.87 RAB9A (0.41) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399299 0.87 RAB9A (0.38) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9433313 0.86 RARB (0.34) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9398599 0.86 RARB (0.46) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399125 0.85 GAA (0.39) RARBMAPTRAB9ASMN1; SMN2GAA
SCHEMBL9399118 0.85 GAA (0.39) 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 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