SCHEMBL3085223

SCHEMBL3085223

CCc1c(C(=O)O)c2cc(Cl)c(O)cc2oc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
MCL1 Q07820 1/20 0.47
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 6/20 0.43
HSD17B10 Q99714 6/20 0.43
ERAP1 Q9NZ08 4/20 0.43
GLA P06280 4/20 0.43
GAA P10253 4/20 0.43
CASP1 P29466 4/20 0.43
CASP7 P55210 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL5085565 0.78 HSD17B3 (0.57) RXFP1LMNANPSR1MAPTESR2
SCHEMBL9211053 0.71 MCL1 (0.63) RXFP1LMNAPPARGNCOA2NPSR1
SCHEMBL972802 0.70 KDM4E (0.67) RXFP1LMNAPPARGNCOA2NPSR1
SCHEMBL2226799 0.69 ESR2 (0.57) RXFP1LMNANPSR1MAPTESR2
Hydrochloric Acid SCHEMBL11055257 0.69 TP53 (0.49) RXFP1LMNAPPARGNCOA2NPSR1
SCHEMBL10744925 0.69 HSD17B3 (0.62) RXFP1LMNAPPARGNCOA2NPSR1
SCHEMBL11484411 0.69 NQO1 (0.52) MCL1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11086666 0.69 TP53 (0.48) RXFP1LMNAPPARGNCOA2NPSR1
SCHEMBL5649508 0.68 TP53 (0.53) RXFP1LMNAPPARGNCOA2NPSR1
SCHEMBL10743963 0.68 GPR35 (0.76) RXFP1LMNAPPARGNCOA2NPSR1

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-9677115-B2 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2017-06-13 US disclosed
US-20130252268-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2013-09-26 US disclosed
US-8460862-B2 Enzyme substrates for visualizing acidic organelles Marker Gene Technologies (US) 2013-06-11 US disclosed
US-20100233744-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. 2010-09-16 US disclosed