SCHEMBL11680717

SCHEMBL11680717

O=C(O)c1cc(Cl)c2ccc(C(=O)O)c(Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 3/20 0.46
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACE2 Q9BYF1 2/20 0.41
TPMT P51580 2/20 0.41
SRD5A2 P31213 2/20 0.41
TP53 P04637 1/20 0.40
PTPN1 P18031 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38

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
SCHEMBL11679767 0.86 TSHR (0.50) TTRALDH1A1KDM4EMEN1MAPT
SCHEMBL31214608 0.78 TTR (0.65) TTRALDH1A1KDM4EMAPTHPGD
SCHEMBL11677598 0.78 TSHR (0.54) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL9088276 0.76 PLA2G2D (0.47) TTRALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL9812943 0.76 TSHR (0.52) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL9623558 0.75 AKR1C2 (0.47) TTRALDH1A1KDM4EMEN1MAPT
SCHEMBL945628 0.75 PTPN1 (0.59) TTRALDH1A1KDM4EMEN1HPGD
Hydrochloric Acid SCHEMBL10957441 0.74 PTPN1 (0.57) TTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3769878 0.72 TTR (0.58) TTRALDH1A1TSHRCASP1SMN1; SMN2
SCHEMBL30162746 0.72 TSHR (0.68) TTRALDH1A1KDM4EMAPTTSHR

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
US-4042571-A Fire-retardant polyamides from naphthalene dicarboxylic reactant and halogenated carboxylic reactant TEIJIN LIMITED (JA) 1977-08-16 US claimed