SCHEMBL19984929

SCHEMBL19984929

O=C(CC(O)I)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
GFER P55789 1/20 0.41
CXCR3 P49682 1/20 0.40
NPC1 O15118 1/20 0.40
SMO Q99835 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
SCHEMBL11650545 0.79 ERCC5 (0.53) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL1266557 0.78 CES2 (0.60) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL19984928 0.78 ERCC5 (0.51) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL29987169 0.76 ERCC5 (0.74) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL15979733 0.76 CES2 (0.62) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL7797591 0.75 KDM4E (0.58) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL7797633 0.75 KDM4E (0.58) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL7797594 0.75 KDM4E (0.58) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL5257138 0.75 ERCC5 (0.56) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL976846 0.74 CES2 (0.60) ERCC5FEN1CES2CES1ALDH1A1

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