SCHEMBL11163344

SCHEMBL11163344

C=CCn1c(C(=O)O)c(C(=O)O)c(=O)[nH]c1=O.[KH]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ HTT P42858 1/20 0.47
▸ GAA P10253 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
Potassium Ion SCHEMBL11163325 0.87 KDM4E (0.44) KDM4EALDH1A1HTTGAANPC1
SCHEMBL11158593 0.83 KDM4E (0.52) KDM4EALDH1A1HTTGAAATM
SCHEMBL11164168 0.81 KDM4E (0.41) KDM4EALDH1A1HTTGAANPC1
SCHEMBL10966361 0.74 HPGD (0.47) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL10961560 0.74 KDM4E (0.48) KDM4EALDH1A1HTTGAAATM
SCHEMBL10962032 0.71 POLB (0.40) KDM4EALDH1A1HTTGAANPC1
SCHEMBL11170803 0.71 KDM4E (0.48) KDM4EALDH1A1HTTGAAATM
Potassium Ion SCHEMBL11163312 0.69 ADORA3 (0.39) KDM4EALDH1A1HTTGAANPC1
SCHEMBL157928 0.67 CYP3A4 (0.71) KDM4EALDH1A1HTTGAANPC1
SCHEMBL11155201 0.67 TSHR (0.49) KDM4EALDH1A1HTTGAAATM

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
US-4400508-A AGRICULTURE; PLANT DISEASES; ANTISEPTICS UBE INDUSTRIES, LTD. (JP) 1983-08-23 — — US claimed
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