SCHEMBL10706830

SCHEMBL10706830

Cc1c(C(c2cc(O)ccc2C(C)(C)C)C(C)(C)C)c(C)c(C(c2cc(O)ccc2C(C)(C)C)C(C)(C)C)c(C)c1C(c1cc(O)ccc1C(C)(C)C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP2C9 P11712 5/20 0.44
TYR P14679 3/20 0.44
ALOX15 P16050 3/20 0.44
LMNA P02545 2/20 0.44
NR1I2 O75469 1/20 0.44
MIF P14174 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.34
CA2 P00918 3/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
HSPA5 P11021 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL2021753 0.88 ALDH1A1 (0.47) ALDH1A1CYP2C9TYRALOX15LMNA
SCHEMBL6407103 0.85 ALDH1A1 (0.47) ALDH1A1CYP2C9TYRALOX15LMNA
SCHEMBL462889 0.79 ALDH1A1 (0.44) ALDH1A1CYP2C9TYRALOX15LMNA
SCHEMBL28455950 0.74 CYP2C9 (0.43) ALDH1A1CYP2C9TYRALOX15LMNA
SCHEMBL18176646 0.74 ALDH1A1 (0.54) ALDH1A1CYP2C9TYRALOX15LMNA
SCHEMBL29023762 0.74 ALDH1A1 (0.54) ALDH1A1CYP2C9TYRALOX15LMNA
SCHEMBL28258058 0.72 ESR1 (0.50) ALDH1A1CYP2C9TYRALOX15LMNA
SCHEMBL11693568 0.71 ALDH1A1 (0.47) ALDH1A1CYP2C9TYRALOX15LMNA
SCHEMBL1159790 0.69 ALOX15 (0.58) ALDH1A1CYP2C9TYRALOX15LMNA
SCHEMBL31553274 0.69 ALOX15 (0.58) ALDH1A1CYP2C9TYRALOX15LMNA

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-0114028-B1 COLOUR-PHOTOGRAPHIC RECORDING MATERIAL CIBA-GEIGY AG (CH) 1988-08-03 EP claimed