SCHEMBL6663155

SCHEMBL6663155

O=C(O)C(O)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALKBH5 Q6P6C2 1/20 0.48
MDM2 Q00987 1/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.45
CYP3A4 P08684 2/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 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
SCHEMBL29140122 0.90 LMNA (0.44) CES2CES1LMNATDP1L3MBTL1
SCHEMBL1549080 0.90 CES1 (0.62) CES2CES1LMNATDP1L3MBTL1
Hydrochloric Acid SCHEMBL29089395 0.87 CES1 (0.60) CES2CES1LMNATDP1L3MBTL1
SCHEMBL9567244 0.81 CES1 (0.54) CES2CES1LMNATDP1L3MBTL1
SCHEMBL11213788 0.81 CES2 (0.54) CES2CES1LMNATDP1L3MBTL1
SCHEMBL6262951 0.81 CES2 (0.54) CES2CES1LMNATDP1L3MBTL1
SCHEMBL28785748 0.81 CES1 (0.54) CES2CES1LMNATDP1L3MBTL1
SCHEMBL28970873 0.81 CA1 (0.52) CES2LMNAALDH1A1MAPK1MAPT
SCHEMBL27539912 0.81 CES2 (0.54) CES2CES1LMNATDP1L3MBTL1
SCHEMBL9144207 0.79 CES2 (0.52) CES2CES1LMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196270-B1 AQUEOUS CRYSTALLINE SUSPENSIONS OF GLYCOLIC-ACID ESTERS OF STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1989-05-10 EP claimed
CN-119076056-A Green and efficient esterification catalyst with high hydroxy acid affinity, and preparation method and application thereof 浙江恒逸石化研究院有限公司 2024-12-06 CN disclosed
WO-2004007417-A1 ENZYME INHIBITORS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2004-01-22 WO disclosed
EP-0439585-B1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS MAG GEORG MAYRHOFER & CO OHG (AT) 1997-10-29 EP disclosed
US-5196478-A Polystyrene, assays EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1993-03-23 US disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed
US-4900730-A USING CHELATING AGENT AND SOLVENT; HIGH OSMOTIC PRESSURE TOYO JOZO CO., LTD. (JP) 1990-02-13 US disclosed
US-4553972-A FLEXIBLE POLYMER, CHELATION SYNTEX (U.S.A.) INC. (US) 1985-11-19 US disclosed
US-4303548-A Process for coating dispersed minute droplets with membrane MITSUBISHI PAPER MILLS, LTD. (JP) 1981-12-01 US disclosed