SCHEMBL11020719

SCHEMBL11020719

CCCCCc1c(C(=O)O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.58
DHODH Q02127 14/20 0.52
JAK2 O60674 1/20 0.44
THRB P10828 1/20 0.44

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
Hydrochloric Acid SCHEMBL11431885 0.93 TYMP (0.56) TYMPDHODHJAK2THRB
SCHEMBL11760504 0.88 DHODH (0.56) TYMPDHODHJAK2THRB
SCHEMBL11164274 0.82 NSD2 (0.51) DHODHJAK2THRB
SCHEMBL11762589 0.80 DHODH (0.55) DHODHJAK2THRB
SCHEMBL11431884 0.80 TYMP (0.60) TYMPDHODH
SCHEMBL14398190 0.79 DHODH (0.51) DHODHJAK2THRB
SCHEMBL8150090 0.74 JAK2 (0.53) DHODHJAK2THRB
SCHEMBL8141776 0.73 JAK2 (0.52) DHODHJAK2THRB
SCHEMBL15375288 0.72 TYMP (0.62) TYMP
SCHEMBL648709 0.71 TYMP (0.67) TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052341-B1 OROTIC ACID DERIVATIVES AND THEIR USE AS AGRICULTURAL CHEMICALS UBE INDUSTRIES, LTD. (JP) 1985-05-29 EP disclosed
US-4400508-A AGRICULTURE; PLANT DISEASES; ANTISEPTICS UBE INDUSTRIES, LTD. (JP) 1983-08-23 US disclosed
EP-0052341-A1 Orotic acid derivatives and their use as agricultural chemicals UBE INDUSTRIES, LTD. (JP) 1982-05-26 EP disclosed