SCHEMBL19984698

SCHEMBL19984698

Cc1ccc(C(=O)CC(O)I)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.53
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42

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
SCHEMBL31274029 0.82 GSK3B (0.55) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL19984701 0.80 GSK3B (0.55) GSK3BKMT2AMAPTRAB9ANPC1
SCHEMBL19984702 0.79 HDAC3 (0.58) GSK3BALDH1A1MAPTLMNARAB9A
SCHEMBL6902376 0.79 GSK3B (0.48) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL6902380 0.79 GSK3B (0.48) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL507140 0.79 GSK3B (0.57) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL21470081 0.79 GSK3B (0.57) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL10782076 0.78 ALDH1A1 (0.58) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL19984837 0.78 MEN1 (0.51) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL19642670 0.78 ALDH1A1 (0.62) GSK3BALDH1A1KMT2AMAPTLMNA

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