SCHEMBL6873530

SCHEMBL6873530

COc1ccc(C(O)C(O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.61
CA4 P22748 1/20 0.54
LTA4H P09960 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPY5R Q15761 1/20 0.51
PBRM1 Q86U86 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC10A1 Q14973 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL19728209 0.91 CA1 (0.58) ACP3LTA4HALDH1A1L3MBTL1CES2
SCHEMBL11938484 0.91 CA1 (0.58) ACP3LTA4HALDH1A1L3MBTL1CES2
SCHEMBL11938486 0.91 CA1 (0.58) ACP3LTA4HALDH1A1L3MBTL1CES2
SCHEMBL19728201 0.91 CA1 (0.58) ACP3LTA4HALDH1A1L3MBTL1CES2
SCHEMBL3695690 0.91 CA1 (0.58) ACP3LTA4HALDH1A1L3MBTL1CES2
SCHEMBL477389 0.87 ACP3 (0.61) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL477621 0.87 ACP3 (0.61) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL477466 0.87 ACP3 (0.61) ACP3CA4LTA4HALDH1A1PBRM1
SCHEMBL6442693 0.87 ACP3 (0.53) ACP3CA4ALDH1A1NPY5RPBRM1
SCHEMBL19728202 0.83 ACHE (0.65) ALDH1A1L3MBTL1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780810-B2 HYDROXYLATION CATALYST COMPRISING A CATALYST SUPPORT WITH TWO OR MORE ACTIVE TRANSITION METALS, FOR THE REACTION OF STYRENE AND IODOBENZENE TO FORM 1,2-DIPHENYL-1,2-ETHANEDIOL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-08-24 US disclosed
EP-1346767-A1 Multifunctional catalyst useful in the synthesis of chiral vicinal diols and process for the preparation thereof Council of Scientific and Industrial Research (IN) 2003-09-24 EP disclosed
US-20030176746-A1 Multifunctional catalyst useful in the synthesis of chiral vicinal diols and process for the preparation thereof, and process for the preparation of chiral vicinal diols using said multifunctional catalysts COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-09-18 US disclosed
US-4087463-A COBALT CARBONYL CATALYST MONSANTO COMPANY (US) 1978-05-02 US disclosed