SCHEMBL11221159

SCHEMBL11221159

CC(O)(c1ccco1)C(O)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KMT2A Q03164 5/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AGTR1 P30556 1/20 0.37
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 1/20 0.34
CYP2C19 P33261 3/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17616424 0.79 MAPT (0.49) MAPTKMT2APOLBL3MBTL1PKM
SCHEMBL1925252 0.78 KMT2A (0.47) MAPTKMT2APOLBL3MBTL1PKM
SCHEMBL13994295 0.73
SCHEMBL7629307 0.73
SCHEMBL5865844 0.70 KMT2A (0.47) MAPTKMT2APOLBL3MBTL1PKM
SCHEMBL8644307 0.70
SCHEMBL9442571 0.70
SCHEMBL2421055 0.70 KMT2A (0.47) MAPTKMT2APOLBL3MBTL1PKM
SCHEMBL7118634 0.70 KMT2A (0.47) MAPTKMT2APOLBL3MBTL1PKM
Methoxymethane SCHEMBL28252357 0.68 MAPT (0.50) MAPTKMT2APOLBMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334905-A STABILIZED AZULMIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
US-4251255-A STABILIZED, MODIFIED AZULMIC ACIDS CONDENSED WITH A CARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1981-02-17 US disclosed