SCHEMBL11242987

SCHEMBL11242987

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
THRB P10828 1/20 0.48
DHODH Q02127 13/20 0.37
NPC1 O15118 1/20 0.32
TYMP P19971 1/20 0.32
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
GAA P10253 1/20 0.31
IDE P14735 1/20 0.31
RIN1 Q13671 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Water SCHEMBL11246907 0.98 JAK2 (0.47) JAK2THRBDHODHNPC1TYMP
SCHEMBL11250095 0.81 JAK2 (0.48) JAK2THRBDHODHNPC1NSD2
SCHEMBL1270735 0.77 JAK2 (0.57) JAK2THRBDHODHTYMP
SCHEMBL122310 0.70 JAK2 (0.57) JAK2THRBDHODHTYMP
SCHEMBL2894307 0.70 JAK2 (0.57) JAK2THRBDHODHNPC1TYMP
SCHEMBL22783664 0.70 JAK2 (0.61) JAK2THRBDHODHNSD2ABL1
SCHEMBL25391975 0.67 JAK2 (0.59) JAK2THRBDHODH
SCHEMBL10962665 0.67 JAK2 (0.59) JAK2THRBDHODHNPC1TYMP
SCHEMBL9715507 0.66 JAK2 (1.00) JAK2THRBDHODHNPC1TYMP
SCHEMBL8148038 0.66 JAK2 (0.57) JAK2THRBDHODHNPC1GAA

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