SCHEMBL11032100

SCHEMBL11032100

O=C(O)C(COc1ccccc1Cl)(Oc1ccccc1Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
TP53 P04637 2/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
MITF O75030 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CXCL8 P10145 1/20 0.43
POLB P06746 4/20 0.43
SSTR4 P31391 3/20 0.42
SSTR1 P30872 2/20 0.42

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
SCHEMBL21748887 0.79 SSTR4 (0.55) HPGDTP53RXRARXRBHTT
SCHEMBL21748810 0.79 SSTR4 (0.53) HPGDTP53RXRARXRBHTT
SCHEMBL6660065 0.73 AR (0.46) HPGDTP53RXRARXRBHTT
SCHEMBL23519085 0.73 CXCL8 (0.44) HPGDTP53RXRARXRBHTT
SCHEMBL1046455 0.73 ALDH1A1 (0.60) HPGDTP53RXRARXRBHTT
SCHEMBL101520 0.72 PTGDR2 (0.68) HPGDTP53RXRARXRBHTT
SCHEMBL2014944 0.71 ALDH1A1 (0.43) HPGDTP53RXRARXRBHTT
SCHEMBL29195871 0.71 ALDH1A1 (0.58) HPGDTP53RXRARXRBHTT
SCHEMBL21749119 0.71 SSTR4 (0.61) HPGDTP53RXRARXRBHTT
SCHEMBL10896343 0.71 MEN1 (0.50) HPGDMEN1KMT2APKMRAB9A

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
JP-59041331-A None JP disclosed
JP-S5941331-A HALOGEN-CONTAINING AROMATIC POLYESTER AGENCY OF IND SCIENCE & TECHNOL 1984-03-07 JP disclosed