SCHEMBL11606291

SCHEMBL11606291

CC(C)COc1ccc(C(=O)O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.46
▸ THRB P10828 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ DHODH Q02127 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ FOS P01100 1/20 0.38
▸ JUN P05412 1/20 0.38

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
SCHEMBL11604724 0.79 XDH (0.42) XDHALDH1A1
SCHEMBL11605400 0.79 XDH (0.43) XDHALDH1A1GAA
SCHEMBL11607350 0.78 CNR2 (0.47) XDHALDH1A1
SCHEMBL11591989 0.77 ALDH1A1 (0.47) ALDH1A1
SCHEMBL14332793 0.76 KDM4E (0.53) ALDH1A1GAA
SCHEMBL11605305 0.76 ALOX15 (0.42) ALDH1A1GAAHIF1A
SCHEMBL11603141 0.76 AKR1C3 (0.37) ALDH1A1GAA
SCHEMBL11605247 0.75 TSHR (0.49) ALDH1A1GAA
SCHEMBL11532625 0.75 SRD5A2 (0.55) ALDH1A1
SCHEMBL11538794 0.75 RXRA (0.49) ALDH1A1

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-4083850-A HYPOTENSIVE AGENTS MEIJI SEIKA KAISHA LTD. (JA) 1978-04-11 — — US disclosed
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