SCHEMBL9847757

SCHEMBL9847757

CC(C)(C)c1cc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(C(C)(C)C)cc1Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.48
PYGM P11217 8/20 0.46
PYGL P06737 7/20 0.46
ESRRA P11474 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
HPSE Q9Y251 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL7965762 0.94 POLB (0.50) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL9847753 0.88 RARB (0.51) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL9781030 0.87 TDP1 (0.47) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL9847765 0.85 ALDH1A1 (0.46) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL28891958 0.83 POLB (0.48) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL8630248 0.82 ALDH1A1 (0.43) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL9847759 0.80 TP53 (0.50) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL8628820 0.80 TDP1 (0.49) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL310396 0.80 POLB (0.52) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL29441966 0.80 POLB (0.52) ALDH1A1POLBKDM4EPYGMPYGL

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
EP-0413415-A1 Carboxylic acids and derivates thereof The British Petroleum Company p.l.c. (GB) 1991-02-20 EP disclosed