SCHEMBL2314356

SCHEMBL2314356

CC(C)CC(=O)Cc1cc(O)cc(=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
GLA P06280 2/20 0.42
ALDH1A1 P00352 3/20 0.35
FFAR1 O14842 1/20 0.34
ACHE P22303 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
AKR1B1 P15121 1/20 0.31
GRB2 P62993 1/20 0.31
HIF1A Q16665 3/20 0.31

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
SCHEMBL3700879 0.79 KMT2A (0.43) MEN1KMT2ACYP3A4GLAALDH1A1
SCHEMBL30302271 0.78 CYP3A4 (0.48) MEN1KMT2ACYP3A4GLAALDH1A1
SCHEMBL2316707 0.78 CYP3A4 (0.48) MEN1KMT2ACYP3A4GLAALDH1A1
SCHEMBL3701186 0.75 ELANE (0.41) MEN1KMT2ACYP3A4GLAALDH1A1
SCHEMBL16432864 0.75 MEN1 (0.46) MEN1KMT2ACYP3A4GLAALDH1A1
SCHEMBL12285606 0.74 ELANE (0.43) MEN1KMT2ACYP3A4GLAALDH1A1
SCHEMBL6912133 0.71 CYP3A4 (0.54) MEN1KMT2ACYP3A4GLAALDH1A1
SCHEMBL9271155 0.69 CYP3A4 (0.50) MEN1KMT2ACYP3A4GLAALDH1A1
SCHEMBL3700781 0.68 MEN1 (0.50) MEN1KMT2ACYP3A4GLAALDH1A1
SCHEMBL6471029 0.68 ALDH1A1 (0.46) MEN1KMT2ACYP3A4GLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312886-A1 MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CARGILL INC (US) 2018-11-01 US disclosed
US-20180312887-A1 MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CARGILL INC (US) 2018-11-01 US disclosed
EP-3385388-A1 MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX Biotechnologies Inc. (US) 2018-10-10 EP disclosed
EP-2689020-B1 MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX BIOTECHNOLOGIES INC (US) 2018-05-16 EP disclosed
US-20150056651-A1 MICROORGANISM PRODUCTION OF HIGH-VALUE CHEMICAL PRODUCTS, AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX BIOTECHNOLOGIES INC (US) 2015-02-26 US disclosed
US-20140330032-A1 MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX BIOTECHNOLOGIES, INC. 2014-11-06 US disclosed
EP-2689020-A1 MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX Biotechnologies Inc. (US) 2014-01-29 EP disclosed
EP-2529023-A1 MICROORGANISM PRODUCTION OF HIGH-VALVE CHEMICAL PRODUCTS, AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX Biotechnologies Inc. (US) 2012-12-05 EP disclosed
WO-2012129450-A1 MICROBIAL PRODUCTION OF CHEMICAL PRODUCTS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX BIOTECHNOLOGIES, INC. (US) 2012-09-27 WO disclosed
WO-2011094457-A1 MICROORGANISM PRODUCTION OF HIGH-VALVE CHEMICAL PRODUCTS, AND RELATED COMPOSITIONS, METHODS AND SYSTEMS OPX BIOTECHNOLOGIES, INC. (US) 2011-08-04 WO disclosed