SCHEMBL9847753

SCHEMBL9847753

CC(C)(C)c1cc(-c2ccc(Oc3ccc(C(=O)O)c(C(=O)O)c3)c(C(C)(C)C)c2)ccc1Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.51
RARG P13631 2/20 0.51
RARA P10276 1/20 0.51
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PYGM P11217 3/20 0.42
PYGL P06737 2/20 0.42
CFD P00746 1/20 0.42
XDH P47989 1/20 0.42
RXRB P28702 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
GALK1 P51570 1/20 0.41
CASP6 P55212 1/20 0.41
MCL1 Q07820 1/20 0.41
PLEC Q15149 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 4/20 0.40
NR1I2 O75469 1/20 0.40
CYP2C8 P10632 1/20 0.40

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 0.91 POLB (0.50) RARBRARGRARAPOLBKDM4E
SCHEMBL9847757 0.88 ALDH1A1 (0.51) POLBKDM4EALDH1A1PYGMPYGL
SCHEMBL9847810 0.82 RARG (0.64) RARBRARGRARARXRBIDO1
SCHEMBL9781030 0.79 TDP1 (0.47) POLBKDM4EALDH1A1PYGMPYGL
SCHEMBL8922330 0.78 RXRA (0.44) POLBKDM4EALDH1A1CFDRXRB
SCHEMBL8628820 0.78 TDP1 (0.49) POLBKDM4EALDH1A1PYGMPYGL
SCHEMBL29441966 0.78 POLB (0.52) POLBKDM4EALDH1A1PYGMPYGL
SCHEMBL310396 0.78 POLB (0.52) POLBKDM4EALDH1A1PYGMPYGL
SCHEMBL28891958 0.78 POLB (0.48) POLBKDM4EALDH1A1PYGMPYGL
SCHEMBL16211181 0.77 POLB (0.41) POLBKDM4EALDH1A1PYGMPYGL

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