SCHEMBL9058482

SCHEMBL9058482

CCOC(=O)C(Cl)(Cl)CCCCCSCCCCCC(Cl)(Cl)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
HTT P42858 1/20 0.44
THRB P10828 2/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 3/20 0.34
HSD17B10 Q99714 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
FAAH O00519 4/20 0.34
CES1 P23141 4/20 0.34
PLA2G6 O60733 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
SCHEMBL9057514 0.98 CYP4F2 (0.44) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL16860620 0.84 MEN1 (0.56) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL7615250 0.83 PPARA (0.41) THRBMAPTPOLBALDH1A1ABCB11
SCHEMBL7617315 0.83 PPARA (0.41) THRBMAPTPOLBALDH1A1ABCB11
SCHEMBL7624642 0.82 CYP4F2 (0.47) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL7623895 0.81 CYP4F2 (0.46) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL7620179 0.81 CYP4F2 (0.46) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL7617797 0.81 CYP4F2 (0.46) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL7619962 0.78 HDAC1 (0.45) KMT2AMAPTL3MBTL1KDM4EGAA
SCHEMBL15945347 0.77 CYP4F2 (0.64) CYP4F2CYP4A11HTTTHRBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996011901-A1 NOVEL α,α,α',α'-TETRACHLOROBICARBOXYLIC ACIDS, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1996-04-25 WO disclosed