SCHEMBL4336487

SCHEMBL4336487

CCOC(=O)C(Cc1cn(CC(=O)O)c2ccccc12)OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 2/20 0.47
MCL1 Q07820 3/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TBXAS1 P24557 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.43
CREBBP Q92793 1/20 0.43
LMNA P02545 1/20 0.43
ALOX5 P09917 2/20 0.43
STAT3 P40763 1/20 0.43
RECQL P46063 1/20 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
SCHEMBL4331689 0.87 CREBBP (0.43) ALDH1A1KMT2AMCL1POLBL3MBTL1
SCHEMBL4334672 0.87 CREBBP (0.48) ALDH1A1KMT2AMCL1MAPTCREBBP
SCHEMBL6727386 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AMCL1POLBL3MBTL1
SCHEMBL4333208 0.85 CREBBP (0.42) ALDH1A1KMT2AMCL1POLBL3MBTL1
SCHEMBL12874520 0.76 KMT2A (0.66) ALDH1A1KMT2AMCL1TBXAS1KDM4E
SCHEMBL26851045 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AMCL1TBXAS1KDM4E
SCHEMBL4340097 0.75 PPARG (0.45) ALDH1A1KDM4EMAPTCREBBP
SCHEMBL4339994 0.74 CYP4F2 (0.50) ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL27268451 0.73 ALDH1A1 (0.58) ALDH1A1KMT2AMCL1TBXAS1KDM4E
SCHEMBL22188706 0.73 ALDH1A1 (0.65) ALDH1A1KMT2AMCL1TBXAS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed