SCHEMBL7876129

SCHEMBL7876129

CC1(COC(=O)/C=C/C(=O)O)CO1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.50
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3340617 0.93 HCAR2 (0.38) HCAR2ALDH1A1ATML3MBTL1
SCHEMBL3340945 0.93 HCAR2 (0.38) HCAR2ALDH1A1ATML3MBTL1
SCHEMBL16093953 0.81 HCAR2 (0.48) HCAR2ALDH1A1KDM4EMAPTTDP1
SCHEMBL16093951 0.81 HCAR2 (0.48) HCAR2ALDH1A1KDM4EMAPTTDP1
SCHEMBL1316484 0.78 TSHR (0.47) ALDH1A1TSHRTP53HSD17B10
SCHEMBL10349285 0.74
SCHEMBL16093949 0.72 EPHX1 (0.41) HCAR2ALDH1A1ATM
SCHEMBL14775057 0.71
SCHEMBL7715228 0.70 TSHR (0.40) ALDH1A1TSHRTP53HSD17B10
SCHEMBL17208827 0.69 NAAA (0.36) ALDH1A1TDP1HSD17B10

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-6333368-B1 CURABLE RESIN FOR WATER BASED PAINTS WITH DISPERSION OR DISSOLVING WATER IN VINYL POLYMER WITH TERT AMINO AND ACID FUNCTIONS, COMPOUND B WITH EPOXY AND HYDROLYZABLE SILYL GROUPS DAINIPPON INK & CHEMICALS, INC. (JP) 2001-12-25 US disclosed