SCHEMBL19984928

SCHEMBL19984928

Cc1ccccc1C(=O)CC(O)I

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
CTNNB1 P35222 6/20 0.45
WNT3A P56704 6/20 0.45
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
F2R P25116 1/20 0.39

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
SCHEMBL16313440 0.85 ERCC5 (0.51) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL13647199 0.81 ERCC5 (0.55) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL3704844 0.78 ERCC5 (0.60) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL19984929 0.78 ERCC5 (0.51) ERCC5FEN1HPGDKMT2AMEN1
SCHEMBL8053673 0.76 ERCC5 (0.58) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL30089517 0.76 CTNNB1 (0.68) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL15979740 0.76 CTNNB1 (0.68) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL8735550 0.76 ERCC5 (0.74) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL8535216 0.75 ERCC5 (0.53) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL193821 0.75 ERCC5 (0.49) ERCC5FEN1CTNNB1WNT3AHPGD

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-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed