SCHEMBL11605247

SCHEMBL11605247

C=CCOc1ccc(C(=O)O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ LIG1 P18858 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL17770659 0.84 KDM4E (0.53) TSHRGAALIG1KDM4EMAPT
SCHEMBL11603141 0.82 AKR1C3 (0.37) TSHRGAAKDM4EHPGDALDH1A1
SCHEMBL11604724 0.76 XDH (0.42) KDM4ECA9HPGDMAPTALDH1A1
SCHEMBL11532625 0.75 SRD5A2 (0.55) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL11607350 0.75 CNR2 (0.47) TSHRCA9HPGDALDH1A1TP53
SCHEMBL11591989 0.74 ALDH1A1 (0.47) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL14332793 0.73 KDM4E (0.53) TSHRGAAKDM4ECA12CA1
SCHEMBL11532467 0.72 RHEB (0.55) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL11538794 0.72 RXRA (0.49) CA12CA9HPGDALDH1A1KMT2A
SCHEMBL11603123 0.71 KDM4E (0.35) TSHRGAAKDM4EHPGDMAPT

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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