SCHEMBL10788397

SCHEMBL10788397

CC(C)(C)c1cc(S(=O)(=O)c2ccc(O)c(C(C)(C)C)c2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
ALOX15 P16050 2/20 0.55
NR1I2 O75469 1/20 0.55
LMNA P02545 1/20 0.55
CYP2C9 P11712 1/20 0.55
MIF P14174 1/20 0.55
TYR P14679 1/20 0.55
HTT P42858 1/20 0.55
NFE2L2 Q16236 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
ATP2A2 P16615 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATP2A3 Q93084 1/20 0.48
PKM P14618 1/20 0.45
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 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
SCHEMBL2595702 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL10527665 0.93 ALDH1A1 (0.58) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL17298623 0.91 ALDH1A1 (0.50) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL12212829 0.86 ALDH1A1 (0.53) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL29588513 0.86 ALDH1A1 (0.57) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL16117681 0.86 ALDH1A1 (0.57) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL15744782 0.81 POLB (0.42) ALDH1A1NR1I2LMNACYP2C9HTT
SCHEMBL18399449 0.80 HSD11B1 (0.51) ALDH1A1MAPTGAAPKMHSP90AA1
SCHEMBL9296454 0.80 GAA (0.52) ALDH1A1HSD17B10MAPTGAAKDM4E
SCHEMBL8961427 0.79 ALDH1A1 (0.40) ALDH1A1ALOX15NR1I2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114151-B1 CURABLE EPOXY RESIN MIXTURES COMPRISING IMIDE COMPOUNDS AND CONDENSATION PRODUCTS FROM PHENOLS, AMINES AND ALDEHYDES OR KETONES CIBA-GEIGY AG (CH) 1987-11-11 EP disclosed
EP-0114150-B1 CURABLE EPOXY RESIN MIXTURES CIBA-GEIGY AG (CH) 1987-09-30 EP disclosed
EP-0114151-A2 Curable epoxy resin mixtures comprising imide compounds and condensation products from phenols, amines and aldehydes or ketones CIBA-GEIGY AG (CH) 1984-07-25 EP disclosed
EP-0114150-A2 Curable epoxy resin mixtures CIBA-GEIGY AG (CH) 1984-07-25 EP disclosed