SCHEMBL11864151

SCHEMBL11864151

O=C(O)c1ccc2c(c1)C(=O)CC(C(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TDP2 O95551 1/20 0.45
SRD5A2 P31213 4/20 0.41
TTR P02766 2/20 0.41
PTPRC P08575 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SRD5A1 P18405 3/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMO O15229 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL19718187 0.81 ALDH1A1 (0.53) ALDH1A1TDP2SRD5A2KMT2AKDM4E
SCHEMBL9221702 0.81 ACHE (0.50) ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL5660492 0.76 SMN1; SMN2 (0.53) KDM4EGAASMN1; SMN2
SCHEMBL5659127 0.76 SMN1; SMN2 (0.53) KDM4EGAASMN1; SMN2
SCHEMBL1992671 0.76 SMN1; SMN2 (0.53) KDM4EGAASMN1; SMN2
SCHEMBL11761484 0.76 TDP1 (0.47) ALDH1A1TDP2PTPRCKMT2AMEN1
SCHEMBL17327530 0.75 TDP2 (0.62) ALDH1A1TDP2SRD5A2TTRPTPRC
SCHEMBL28135598 0.75 TDP2 (0.46) ALDH1A1TDP2SRD5A2TTRPTPRC
SCHEMBL785704 0.74 PBRM1 (0.58) ALDH1A1TDP2SRD5A2TTRPTPRC
SCHEMBL23617815 0.72 ACHE (0.60) ALDH1A1TDP2SRD5A2TTRPTPRC

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-51125366-A None JP disclosed
JP-S51125366-A PROCESS FOR PREPARATION OF 1-TETRALONE- -3,7-DICARBOXYLICACID- -DIALKY LESTER TEIJIN LTD 1976-11-01 JP disclosed