SCHEMBL27508355

SCHEMBL27508355

CCCCCCCC(Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.46
SCN9A Q15858 3/20 0.46
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
NAAA Q02083 1/20 0.41
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
KIF11 P52732 1/20 0.40
EGFR P00533 1/20 0.40
EPHX1 P07099 3/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1133623 1.00 SCN5A (0.46) SCN5ASCN9ACYP1A2GAAHSP90AA1
SCHEMBL1044217 0.87 CES2 (0.44) SCN5ASCN9ACYP1A2GAAHSP90AA1
SCHEMBL10709944 0.87 OPRM1 (0.45) SCN5ASCN9AGAAHSP90AA1CES2
SCHEMBL27466589 0.86 CYP1A2 (0.50) CYP1A2GAARAB9AKIF11ALDH1A1
SCHEMBL8720644 0.84 HDAC1 (0.46) SCN5ASCN9AGAAHSP90AA1CES2
SCHEMBL27456895 0.83 KIF11 (0.46) SCN5ASCN9ACYP1A2GAACES2
SCHEMBL29009945 0.81 CYP1A2 (0.46) CYP1A2KIF11ALDH1A1
SCHEMBL6691407 0.81 CYP1A2 (0.48) CYP1A2KIF11ALDH1A1
SCHEMBL6688205 0.81 CYP1A2 (0.48) CYP1A2KIF11ALDH1A1
SCHEMBL11305185 0.81 ALDH1A1 (0.49) SCN5ASCN9AGAACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1131259-C Method for producing polycarbonate resin TEIJIN LTD (JP) 2003-12-17 CN disclosed
CN-1252817-A Process for producing polycarbonate resin TEIJIN LTD (JP) 2000-05-10 CN disclosed