SCHEMBL10554229

SCHEMBL10554229

CCCCCCCCOc1ccc(-c2ncc(CCCCCCC)cn2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.52
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR2 O95136 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL10560121 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL10557115 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL10555207 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL10555705 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL10558236 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL10558978 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL10560165 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL9399114 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL10554428 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL10557384 1.00 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTHSD17B10

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-4812258-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-03-14 US claimed
US-4812258-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-03-14 US disclosed
EP-0126949-A2 Fluorine-containing pyrimidine derivatives MERCK PATENT GmbH (DE) 1984-12-05 EP disclosed