SCHEMBL9744386

SCHEMBL9744386

O=C(O)C(C(=O)O)=C1SCCS1.[KH]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.30

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
SCHEMBL1685875 0.97 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1NPC1POLB
SCHEMBL9746142 0.94 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1NPC1POLB
Water SCHEMBL9746706 0.92 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1NPC1POLB
SCHEMBL17969264 0.86 KLKB1 (0.39) ALDH1A1SMN1; SMN2MEN1NPC1POLB
SCHEMBL9520335 0.80 MEN1 (0.33) ALDH1A1SMN1; SMN2MEN1NPC1POLB
SCHEMBL9521449 0.73 ADRA1A (0.50) ALDH1A1SMN1; SMN2MEN1NPC1POLB
SCHEMBL9745261 0.67 ADRA1A (0.45)
SCHEMBL9745480 0.61 ADRA1A (0.45)
Oxalic Acid SCHEMBL5575106 0.58
SCHEMBL1153720 0.57

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
US-5142075-A Anti-tumor platinum(II) complexes and process for the preparation thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-08-25 US disclosed