SCHEMBL2417198

SCHEMBL2417198

CCN(C(=O)CC(C)=O)[C@@H](C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PGR P06401 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ KDM6B O15054 1/20 0.30
▸ KDM5C P41229 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ PHF8 Q9UPP1 1/20 0.30
▸ KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL2245241 0.79 ALDH1A1 (0.32) ALDH1A1TDP1MEN1KMT2A
SCHEMBL20326250 0.79 CHRM1 (0.35) ALDH1A1TDP1PGRADRA2AADRA2B
SCHEMBL6137839 0.78 HDAC1 (0.37) ALDH1A1TDP1MEN1KMT2APGR
SCHEMBL9730275 0.73 KDM4E (0.32) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL5936919 0.73 EPHX2 (0.47) ALDH1A1TDP1MEN1KMT2A
SCHEMBL9650021 0.73 EPHX2 (0.47) ALDH1A1TDP1MEN1KMT2A
SCHEMBL20165513 0.72 ALDH1A1 (0.46) ALDH1A1
SCHEMBL18742134 0.72 EPHX2 (0.49) ALDH1A1TDP1MEN1KMT2A
SCHEMBL5503882 0.72 EPHX2 (0.49) ALDH1A1TDP1MEN1KMT2A
SCHEMBL10935808 0.71 ABCB11 (0.41) ALDH1A1TDP1PGRADRA2AADRA2B

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-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 — — EP disclosed
EP-2549991-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS Vifor (International) AG (CH) 2013-01-30 — — EP disclosed
WO-2011117225-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS VIFOR (INTERNATIONAL) AG (CH) 2011-09-29 — — WO disclosed
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