SCHEMBL9233258

SCHEMBL9233258

CCCCc1cnc(-c2ccc([C@@H](C)C(=O)OCC(C)CC)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.50
RAB9A P51151 8/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 7/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9240740 0.97 RARB (0.55) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9240589 0.96 RARB (0.57) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9240292 0.96 RARB (0.57) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9237428 0.96 RARB (0.57) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9239407 0.96 RARB (0.57) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9237936 0.96 RARB (0.57) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9237866 0.93 RARB (0.43) RARBRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL9233141 0.86 RARB (0.47) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9840871 0.84 RARB (0.48) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9233265 0.83 RARB (0.49) RARBRAB9ASMN1; SMN2MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5089168-A Stable ferroelectric liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-02-18 US disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed