SCHEMBL30433255

SCHEMBL30433255

COC(=O)O.O=C(O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
FABP5 Q01469 3/20 0.54
FABP7 O15540 2/20 0.54
EPHX2 P34913 1/20 0.51
CASP3 P42574 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL29901230 0.93 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL29381061 0.93 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL44677 0.93 FABP5 (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL15119354 0.85 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CASP3
Isothiocyanate SCHEMBL29261606 0.84 FABP5 (0.51) KMT2AFABP5FABP7EPHX2CASP3
Isothiocyanate SCHEMBL30858893 0.84 FABP5 (0.51) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL28080728 0.84 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL29608029 0.81 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL410205 0.81 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL1105520 0.81 KMT2A (0.63) KMT2AFABP5FABP7EPHX2CASP3

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
EP-4452933-A1 BIOMOLECULE-POLYMER-PHARMACEUTICAL AGENT CONJUGATES FOR DELIVERING THE PHARMACEUTICAL AGENT Massachusetts Institute of Technology (US) 2024-10-30 EP disclosed
WO-2023121753-A1 BIOMOLECULE-POLYMER-PHARMACEUTICAL AGENT CONJUGATES FOR DELIVERING THE PHARMACEUTICAL AGENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-29 WO disclosed