SCHEMBL11005597

SCHEMBL11005597

COCC(C)C(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
SLC7A5 Q01650 1/20 0.31
HCAR3 P49019 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1287232 0.76 SLC7A5 (0.48) SLC7A5
SCHEMBL1708891 0.74
SCHEMBL143520 0.74
SCHEMBL11933048 0.74
SCHEMBL9938027 0.73 ALDH1A1 (0.39) TP53ALDH1A1
SCHEMBL11003672 0.71 PIK3CD (0.39)
SCHEMBL152857 0.70 ALDH1A1 (0.45) TP53ALDH1A1
SCHEMBL10954293 0.70 OR51E2 (0.41) TP53GABRR1RNPEPCYP1A2SLC7A5
SCHEMBL2036581 0.70 CHRM1 (0.43) TP53ALDH1A1
Bicarbonate SCHEMBL6526677 0.70 TSHR (0.41) TP53ALDH1A1RNPEPSLC7A5HCAR3

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-4537901-A MITICIDES BASF AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed