SCHEMBL11001503

SCHEMBL11001503

O=Cc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.63
▸ CA1 P00915 4/20 0.63
▸ FOLH1 Q04609 9/20 0.57
▸ CA12 O43570 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ DHFR P00374 3/20 0.49
▸ RIMKLA Q8IXN7 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.49
▸ TYMS P04818 1/20 0.47

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
SCHEMBL27564186 0.89 CA2 (0.75) CA2CA1FOLH1CA12CA9
SCHEMBL3279421 0.87 CA2 (0.61) CA2CA1FOLH1CA12CA9
SCHEMBL17517569 0.85 CA2 (0.59) CA2CA1FOLH1CA12CA9
SCHEMBL16243376 0.83 CA2 (0.61) CA2CA1CA12CA9
SCHEMBL698067 0.83 CA2 (0.67) CA2CA1FOLH1CA12CA9
SCHEMBL715646 0.83 CA2 (0.67) CA2CA1FOLH1CA12CA9
SCHEMBL97498 0.83 CA2 (0.67) CA2CA1FOLH1CA12CA9
SCHEMBL5187907 0.82 CA2 (0.66) CA2CA1FOLH1CA12CA9
SCHEMBL9388610 0.82 CA2 (0.66) CA2CA1FOLH1CA12CA9
SCHEMBL11441221 0.82 FOLH1 (0.80) CA2CA1FOLH1CA12CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4532241-A Inhibiting neoplastic growth SRI INTERNATIONAL (US) 1985-07-30 — — US disclosed
US-4460591-A ANTITUMOR AGENTS SRI INTERNATIONAL (US) 1984-07-17 — — US disclosed
Send feedback