SCHEMBL6535892

SCHEMBL6535892

C=CCc1cc(CC=C)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FOLH1 Q04609 1/20 0.34
CYP3A4 P08684 1/20 0.34
DCLRE1A Q6PJP8 1/20 0.34
DCLRE1B Q9H816 1/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL22160245 0.94 GABRA1 (0.38) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL2053985 0.93 GABRA1 (0.41) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL29225947 0.84 GABRA1 (0.41) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL9081528 0.83 IDO1 (0.42) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL278481 0.82 KDM4E (0.46) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL28227972 0.81 IDO1 (0.49) POLBALDH1A1MAPTKDM4EHSD17B10
SCHEMBL2852455 0.80 ALDH1A1 (0.53) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL6449728 0.80 KDM4E (0.44) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL7061099 0.80 XDH (0.48) GABRA1GABRB2POLBGAAALDH1A1
SCHEMBL1908071 0.80 ALDH1A1 (0.52) GABRA1GABRB2PTGDRPTGDR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098628-A4 CASEIN FORMULATIONS FOR THE DELIVERY OF BIOACTIVE CONSTITUENTS PACIFIC BIOLINK PTY LTD (AU) 2004-08-25 EP disclosed
US-6652875-B1 Complexed with calcium phosphate PACIFIC BIOLINK PTY. LIMITED (AU) 2003-11-25 US disclosed
US-20030206939-A1 Casein formulations for the delivery of bioactive constituents PACIFIC BIOLINK PTY. LIMITED 2003-11-06 US disclosed
EP-1098628-A1 CASEIN FORMULATIONS FOR THE DELIVERY OF BIOACTIVE CONSTITUENTS Pacific Biolink PTY. Limited (AU) 2001-05-16 EP disclosed
WO-2000006108-A1 CASEIN FORMULATIONS FOR THE DELIVERY OF BIOACTIVE CONSTITUENTS PACIFIC BIOLINK PTY. LIMITED (AU) 2000-02-10 WO disclosed