SCHEMBL20172081

SCHEMBL20172081

Cc1cc(C(O)O)c(C)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.47
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40

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
SCHEMBL70135 0.82 KDM4E (0.54) GRM1KDM4EHPGDHSD17B10GAA
Hydrochloric Acid SCHEMBL4352648 0.79 KDM4E (0.52) GRM1KDM4EHPGDHSD17B10GAA
SCHEMBL2400964 0.77 KDM4E (0.50) GRM1KDM4EHPGDHSD17B10GAA
Ethylene SCHEMBL6034661 0.77 KDM4E (0.50) GRM1KDM4EHPGDHSD17B10GAA
SCHEMBL238021 0.77 KDM4E (0.50) GRM1KDM4EHPGDHSD17B10GAA
SCHEMBL29350418 0.77 KDM4E (0.50) GRM1KDM4EHPGDHSD17B10GAA
SCHEMBL9557836 0.76 ALDH1A1 (0.44) GRM1KDM4EHPGDHSD17B10GAA
SCHEMBL13049116 0.75 ACE2 (0.46) GRM1KDM4EHPGDHSD17B10GAA
SCHEMBL27744380 0.75 ACE2 (0.46) GRM1KDM4EHPGDHSD17B10MEN1
SCHEMBL10770592 0.74 CYP3A4 (0.35) MAPK1

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
EP-2928564-B1 NAIL MAKEUP METHOD WITH PHOTOCROSSLINKABLE VARNISH COMPOSITIONS OREAL (FR) 2018-05-23 EP disclosed