SCHEMBL20032580

SCHEMBL20032580

CC(=O)[C@@H]1C[C@@H]1C(=O)c1ccc2c(c1)CC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.37
SSTR5 P35346 1/20 0.36
MAPT P10636 2/20 0.36
RXRA P19793 1/20 0.34
HTR2A P28223 1/20 0.34
POLB P06746 2/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18066728 0.90 KMO (0.49) KMOSSTR5MAPTRXRAHTR2A
SCHEMBL103150 0.80 MAPT (0.47) SSTR5MAPTRXRAPOLBAPEX1
SCHEMBL10407993 0.78 MAPT (0.44) SSTR5MAPTRXRAHTR2APOLB
SCHEMBL2812534 0.77 RXRA (0.52) SSTR5MAPTRXRAPOLBALDH1A1
SCHEMBL20032573 0.75 TDP1 (0.63) KMOMAPTPOLBAPEX1RECQL
SCHEMBL20032574 0.74 CTNNB1 (0.51) KMOKDM4E
SCHEMBL15947259 0.73 MAPT (0.47) SSTR5MAPTALDH1A1KDM4ETDP1
SCHEMBL9873185 0.70 MAPT (0.38) SSTR5MAPTRXRAHTR2APOLB
SCHEMBL2811130 0.70 CA12 (0.48) MAPTRECQLALDH1A1KDM4EHPGD
Acetic Acid SCHEMBL28623911 0.69 MAPT (0.41) SSTR5MAPTHTR2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938252-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-04-10 US disclosed