SCHEMBL11155201

SCHEMBL11155201

CCCCn1c(C(=O)O)c(C(C)=O)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.49
▸ HTT P42858 3/20 0.48
▸ KDM4E B2RXH2 5/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 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
SCHEMBL10961560 0.90 KDM4E (0.48) TSHRHTTKDM4EHSD17B10HPGD
Water SCHEMBL10963377 0.88 KDM4E (0.47) TSHRHTTKDM4EHSD17B10HPGD
SCHEMBL10964940 0.82 HSD17B10 (0.53) TSHRKDM4EHSD17B10HPGDGAA
SCHEMBL11163717 0.81 MAPT (0.61) TSHRHTTKDM4EHSD17B10HPGD
SCHEMBL11170798 0.80 KDM4E (0.46) TSHRHTTKDM4EHSD17B10HPGD
Potassium Ion SCHEMBL10961555 0.80 KDM4E (0.46) TSHRHTTKDM4EHSD17B10HPGD
Lithium Ion SCHEMBL11164273 0.80 KDM4E (0.46) TSHRHTTKDM4EHSD17B10HPGD
Water SCHEMBL10965614 0.79 MAPT (0.60) TSHRHTTKDM4EHSD17B10HPGD
Water SCHEMBL10963375 0.79 KDM4E (0.45) TSHRHTTKDM4EHSD17B10HPGD
SCHEMBL11163344 0.67 KDM4E (0.47) HTTKDM4EGAASMN1; SMN2MAPT

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
US-4400508-A AGRICULTURE; PLANT DISEASES; ANTISEPTICS UBE INDUSTRIES, LTD. (JP) 1983-08-23 — — US claimed
EP-0052341-A1 Orotic acid derivatives and their use as agricultural chemicals UBE INDUSTRIES, LTD. (JP) 1982-05-26 — — EP claimed
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