SCHEMBL14950486

SCHEMBL14950486

CC(=O)O[C@H]1OC(=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
KDM4E B2RXH2 4/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4D Q08499 1/20 0.40

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
SCHEMBL10310217 1.00 POLB (0.56) POLBKDM4EHIF1AALDH1A1HSD17B10
SCHEMBL31084365 0.84 POLB (0.42) POLBKDM4EHIF1AALDH1A1HSD17B10
SCHEMBL10917165 0.83 POLB (0.41) POLBKDM4EHIF1AALDH1A1HSD17B10
SCHEMBL10914238 0.83 POLB (0.41) POLBKDM4EHIF1AALDH1A1LMNA
SCHEMBL10916420 0.83 CYP1A1 (0.48) POLBKDM4EHIF1AALDH1A1HSD17B10
SCHEMBL10917276 0.83 KDM4E (0.43) POLBKDM4EHIF1AALDH1A1HSD17B10
SCHEMBL10921650 0.82 POLB (0.44) POLBKDM4EHIF1AALDH1A1HSD17B10
SCHEMBL13989109 0.82 ALDH1A1 (0.41) POLBKDM4EHIF1AALDH1A1HSD17B10
SCHEMBL21284339 0.82 POLB (0.41) POLBKDM4EHIF1AALDH1A1HSD17B10
SCHEMBL10916999 0.82 ALDH1A1 (0.56) POLBKDM4EALDH1A1HSD17B10LMNA

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
WO-2013068874-A1 ANTIBODY-DRUG CONJUGATES PFIZER INC. (US) 2013-05-16 WO disclosed