SCHEMBL11780901

SCHEMBL11780901

O=C(O)c1cc(C(=O)O)c2cc(C(=O)O)cc(C(=O)O)c2c1.[KH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TPMT P51580 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CA3 P07451 1/20 0.44
MAPT P10636 1/20 0.44
SELL P14151 1/20 0.44
HPGD P15428 1/20 0.44
SELP P16109 1/20 0.44
FUT4 P22083 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL11780953 1.00 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11782172 1.00 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11781204 1.00 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL29659433 0.97 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL335300 0.97 CA12 (0.48) CA12CA1CA2CA7CA9
Water SCHEMBL11782691 0.95 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11783917 0.95 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11782655 0.95 CA12 (0.46) CA12CA1CA2CA7CA9
Potassium Ion SCHEMBL11780896 0.84 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL28651 0.83 PTPN1 (0.55) CA12CA1CA2CA9KDM4E

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-3954840-A THERMAL STABILITY TEIJIN LTD. (JA) 1976-05-04 US disclosed