SCHEMBL4957230

SCHEMBL4957230

O=C(O)C(O)(C(=O)Cc1ccccc1)C(O)(C(=O)O)C(=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.61
CES2 O00748 1/20 0.54
AKR1B1 P15121 1/20 0.54
EPHX2 P34913 1/20 0.48
PAM P19021 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
CTBP2 P56545 1/20 0.44
TSHR P16473 2/20 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
SCHEMBL11445320 0.78 CES1 (0.61) CES1CES2AKR1B1EPHX2PAM
SCHEMBL7558091 0.78 CES1 (0.61) CES1CES2AKR1B1EPHX2PAM
SCHEMBL2235168 0.77 CES1 (0.59) CES1CES2AKR1B1EPHX2PAM
SCHEMBL30196221 0.77 CES1 (0.59) CES1CES2AKR1B1EPHX2PAM
SCHEMBL855690 0.76 CES1 (0.63) CES1CES2AKR1B1EPHX2PAM
SCHEMBL5709778 0.76 CES1 (1.00) CES1CES2AKR1B1PAMMEN1
SCHEMBL1042453 0.76 CES1 (1.00) CES1CES2AKR1B1PAMMEN1
SCHEMBL27390589 0.76 CES1 (0.63) CES1CES2AKR1B1EPHX2PAM
SCHEMBL6377301 0.75 KDM4E (0.61) MEN1KMT2ACYP3A4SMN1; SMN2HIF1A
SCHEMBL6377145 0.75 KDM4E (0.61) MEN1KMT2ACYP3A4SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358384-B2 Processes for the recovery of optically active diacyltartaric acids TORAY FINE CHEMICALS CO., LTD. (JP) 2008-04-15 US disclosed
US-20060058546-A1 Processes for the recovery of optically active diacyltartatic acids TORAY FINE CHEMICALS CO., LTD. (JP) 2006-03-16 US disclosed
EP-1586551-A1 PROCESSES FOR THE RECOVERY OF OPTICALLY ACTIVE DIACYLTARTATIC ACIDS Toray Fine Chemicals Co., Ltd. (JP) 2005-10-19 EP disclosed