SCHEMBL8069666

SCHEMBL8069666

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.54
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTRB1 P17538 2/20 0.39

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
SCHEMBL1312762 0.86 SRC (0.64) SRCCES2CES1CYP2D6HPGD
SCHEMBL8506407 0.85 ALDH1A1 (0.48) HPGDLMNAMAPK1KMT2AALDH1A1
SCHEMBL15455826 0.84 SRC (0.61) SRCCES2CES1CYP2D6HPGD
SCHEMBL11012611 0.84 SRC (0.61) SRCCES2CES1CYP2D6HPGD
SCHEMBL21694423 0.82 SRC (0.73) SRCCES2CES1CYP2D6LMNA
SCHEMBL7303581 0.82 SRC (0.73) SRCCES2CES1CYP2D6HPGD
SCHEMBL3678814 0.82 SRC (0.73) SRCCES2CES1CYP2D6HPGD
SCHEMBL9374736 0.80 SRC (0.56) SRCCYP2D6HPGDLMNAMAPK1
SCHEMBL27894375 0.80 ACP3 (0.45) HPGDLMNAMAPK1KMT2AALDH1A1
SCHEMBL2171712 0.79 ALDH1A1 (0.45) SRCHPGDLMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620857-B1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LTD (GB) 2000-08-02 EP disclosed
US-5686275-A LACTATE DEHYDROGENASE GENZYME LTD. (GB) 1997-11-11 US disclosed
US-5571654-A Toner compositions with negative charge enhancing additives XEROX CORPORATION (US) 1996-11-05 US disclosed
US-5538829-A Toner compositions with zinc and boron charge enhancing additives XEROX CORPORATION (US) 1996-07-23 US disclosed
US-5532098-A Toner compositions with negative charge enhancing additives XEROX CORPORATION (US) 1996-07-02 US disclosed
US-5409794-A Toner compositions with metal chelate charge enhancing additives XEROX CORPORATION (US) 1995-04-25 US disclosed
EP-0620857-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS Genzyme Limited (GB) 1994-10-26 EP disclosed
WO-1993013215-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LIMITED (GB) 1993-07-08 WO disclosed