SCHEMBL9485666

SCHEMBL9485666

CCCCc1c(CCCC)c(Br)c2c(CCCC)c(CCCC)c(Br)c(Br)c2c1Br

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SKP2 Q13309 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL5588339 0.71 HPGD (0.45) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5587492 0.71 CA1 (0.44) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9440814 0.69 TSHR (0.42)
SCHEMBL5587083 0.68 HPGD (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL4633204 0.68 NPC1 (0.48) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5589969 0.67 HPGD (0.41) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5587042 0.67 CA1 (0.44) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5589392 0.67 HPGD (0.41) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5587877 0.65 CA1 (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL11765531 0.65 NPC1 (0.34) NPC1HPGDMAPK1HTTRAB9A

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-5256742-A Preparation of poly(arylene sulfide)s from poly(arylene sulfide disulfide) PHILLIPS PETROLEUM COMPANY (US) 1993-10-26 US disclosed
EP-0044184-A2 Blend of polyarylene sulfide and wholly aromatic polyester CELANESE CORPORATION (US) 1982-01-20 EP disclosed
US-4276397-A IMPROVED PROCESSABILITY TO FORM MOLDED ARTICLES CELANESE CORPORATION (US) 1981-06-30 US disclosed