SCHEMBL7902829

SCHEMBL7902829

COC(=O)CC(C(=O)OC)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
PTGS2 P35354 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL1545921 0.90 KMT2A (0.56) KMT2AL3MBTL1ESR1ESR2LDHA
SCHEMBL6390962 0.90 KMT2A (0.56) KMT2AL3MBTL1ESR1ESR2LDHA
SCHEMBL6390975 0.82 ESR1 (0.66) L3MBTL1ESR1ESR2LDHALDHB
SCHEMBL3358300 0.82 HPGD (0.50) KMT2APTGS2FFAR1ALDH1A1GAA
Hydrochloric Acid SCHEMBL3999039 0.81 CHRNB2 (0.47) KMT2AESR1ESR2PTGS2CTSS
SCHEMBL6321159 0.81 L3MBTL1 (0.51) KMT2AL3MBTL1ESR1ESR2LDHA
SCHEMBL22076559 0.81 PTGS2 (0.47) KMT2APTGS2FFAR1ALDH1A1
SCHEMBL6390486 0.81 L3MBTL1 (0.48) KMT2AL3MBTL1ESR1ESR2LDHA
SCHEMBL2299744 0.79 PTGS2 (0.46) KMT2APTGS2FFAR1ALDH1A1
SCHEMBL15098509 0.78 SMN1; SMN2 (0.54) KMT2AL3MBTL1ALDH1A1GAASMN1; SMN2

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-6288268-B1 REACTION OF OLEFIN WITH ALCOHOL, OXYGEN AND CARBON MONOXIDE IN THE PRESENCE OF CATALYST FOR BISALKOXYCARBONYLATION WITH NOBLE MEYAL AND PHOSPHINE CHALCOGENIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-09-11 US disclosed
US-6184390-B1 Catalyst for bisalkoxycarbonylation of olefins, and method for production of succinate derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-06 US disclosed
US-6159891-A Catalyst for bisalkoxycarbonylation of olefins, and method for production of succinate derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-12 US disclosed