SCHEMBL29029980

SCHEMBL29029980

O=C(O)c1cc(C(=O)O)cc(C(=O)c2ccco2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.85
MEN1 O00255 3/20 0.85
ALDH1A1 P00352 3/20 0.85
POLB P06746 2/20 0.85
THRB P10828 1/20 0.85
APEX1 P27695 1/20 0.85
RECQL P46063 1/20 0.85
TDP1 Q9NUW8 1/20 0.85
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PTPN1 P18031 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
KEAP1 Q14145 1/20 0.46
AGTR1 P30556 1/20 0.46
RAB9A P51151 3/20 0.45
BLM P54132 1/20 0.45
PIM1 P11309 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL15354269 0.92 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1POLBTHRB
SCHEMBL8437671 0.86 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1POLBTHRB
SCHEMBL3953437 0.82 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1POLBTHRB
SCHEMBL3855327 0.81 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1POLBTHRB
SCHEMBL30977784 0.79 KMT2A (0.75) KMT2AMEN1ALDH1A1POLBTHRB
SCHEMBL16713271 0.79 KMT2A (0.75) KMT2AMEN1ALDH1A1POLBTHRB
SCHEMBL16713276 0.79 KMT2A (0.75) KMT2AMEN1ALDH1A1POLBTHRB
SCHEMBL181841 0.79 ALDH1A1 (0.74) KMT2AMEN1ALDH1A1POLBTHRB
SCHEMBL29029973 0.78 RAB9A (0.68) KMT2AMEN1POLBPTPN1SMN1; SMN2
SCHEMBL3857975 0.77 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1POLBTHRB

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
CN-115991864-A Aliphatic polyester with reversible crosslinking characteristic, and preparation method and application thereof 上海梓龄化工技术有限公司 2023-04-21 CN disclosed