SCHEMBL7544858

SCHEMBL7544858

COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.52
ATM Q13315 2/20 0.52
NPSR1 Q6W5P4 10/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
POLB P06746 4/20 0.51
MAPT P10636 8/20 0.51
KDM4E B2RXH2 5/20 0.51
PAX8 Q06710 2/20 0.49
ALDH1A1 P00352 1/20 0.49
DRD2 P14416 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7545229 1.00 TDP1 (0.52) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL7538486 0.97 TDP1 (0.48) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL7541966 0.97 TDP1 (0.48) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL21376478 0.85 SYK (0.43) ATMPOLBALDH1A1DRD2GAA
SCHEMBL7544009 0.85 TAS1R3 (0.52)
SCHEMBL7541875 0.84 TAS1R3 (0.47) ALDH1A1
SCHEMBL7539797 0.84 TAS1R3 (0.51)
SCHEMBL20024957 0.84 ITGB1 (0.59)
SCHEMBL7546250 0.82 TAS1R3 (0.49) KMT2AMEN1POLB
SCHEMBL7540665 0.82 TAS1R3 (0.49) KMT2AMEN1POLB

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
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed