SCHEMBL4957240

SCHEMBL4957240

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 2/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM4 P08173 2/20 0.42
POLB P06746 1/20 0.42
SRC P12931 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL7998119 0.86 LMNA (0.53) TDP1CYP2D6LMNAMAPK1CHRM2
SCHEMBL7998113 0.86 LMNA (0.53) TDP1CYP2D6LMNAMAPK1CHRM2
SCHEMBL360232 0.82 KLK7 (0.54) KLK7L3MBTL1TDP1CYP2D6LMNA
SCHEMBL360231 0.82 KLK7 (0.54) KLK7L3MBTL1TDP1CYP2D6LMNA
SCHEMBL28579226 0.76 LMNA (0.59) TDP1CYP2D6LMNAMAPK1CHRM2
SCHEMBL8047739 0.75 L3MBTL1 (0.54) KLK7L3MBTL1TDP1CYP2D6LMNA
SCHEMBL5968318 0.75 L3MBTL1 (0.54) KLK7L3MBTL1TDP1CYP2D6LMNA
SCHEMBL3709855 0.75 TSHR (0.71) TDP1CYP2D6LMNAMAPK1TP53
SCHEMBL4190179 0.75 TSHR (0.71) TDP1CYP2D6LMNAMAPK1TP53
SCHEMBL23266974 0.74 TSHR (0.78) TDP1CYP2D6LMNAMAPK1TP53

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