SCHEMBL11245596

SCHEMBL11245596

CC(C)(Br)c1c(C(=O)O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
THRB P10828 1/20 0.48
DHODH Q02127 16/20 0.40
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL11250095 0.81 JAK2 (0.48) JAK2THRBDHODH
SCHEMBL11242987 0.81 JAK2 (0.48) JAK2THRBDHODH
Water SCHEMBL11246907 0.80 JAK2 (0.47) JAK2THRBDHODH
SCHEMBL1270735 0.77 JAK2 (0.57) JAK2THRBDHODHALDH1A1LMNA
SCHEMBL1992586 0.70 JAK2 (0.57) JAK2THRBDHODHALDH1A1LMNA
SCHEMBL2894307 0.70 JAK2 (0.57) JAK2THRBDHODHALDH1A1LMNA
SCHEMBL22783664 0.70 JAK2 (0.61) JAK2THRBDHODHALDH1A1LMNA
SCHEMBL25391975 0.67 JAK2 (0.59) JAK2THRBDHODHALDH1A1LMNA
SCHEMBL10962665 0.67 JAK2 (0.59) JAK2THRBDHODHALDH1A1LMNA
SCHEMBL9715507 0.66 JAK2 (1.00) JAK2THRBDHODHALDH1A1LMNA

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-0052341-A1 Orotic acid derivatives and their use as agricultural chemicals UBE INDUSTRIES, LTD. (JP) 1982-05-26 EP claimed