SCHEMBL6657682

SCHEMBL6657682

CC(O)C(O)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.50
ESR2 Q92731 10/20 0.50
CYP3A4 P08684 3/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 2/20 0.50
TYR P14679 2/20 0.50
HPGD P15428 2/20 0.50
AR P10275 1/20 0.50
TSHR P16473 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR6 P50406 1/20 0.50
ESRRG P62508 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 3/20 0.48
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
SHBG P04278 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 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
SCHEMBL9204391 0.80 TSHR (0.46) HSD17B10HPGDTSHRALDH1A1MEN1
SCHEMBL9204405 0.80 TSHR (0.46) HSD17B10HPGDTSHRALDH1A1MEN1
SCHEMBL301345 0.79 ALDH1A1 (0.57) ESR1ESR2CYP3A4HSD17B10LMNA
SCHEMBL6021075 0.79 ALDH1A1 (0.57) ESR1ESR2CYP3A4HSD17B10LMNA
SCHEMBL19765292 0.78 CYP3A4 (0.47) CYP3A4HSD17B10LMNAALDH1A1MEN1
SCHEMBL26850118 0.78 ALDH1A1 (0.38) CYP3A4HSD17B10LMNAALDH1A1MEN1
SCHEMBL21914753 0.78 CYP3A4 (0.47) CYP3A4HSD17B10LMNAALDH1A1MEN1
SCHEMBL21914829 0.78 CYP3A4 (0.47) CYP3A4HSD17B10LMNAALDH1A1MEN1
SCHEMBL28366610 0.76 ESR1 (0.50) ESR1ESR2CYP3A4HSD17B10LMNA
Bisphenol A SCHEMBL28857248 0.75 ESR1 (0.80) ESR1ESR2CYP3A4HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988289-A Wetting agent and dispersing agent with rheological behavior 赢创德固赛有限公司 2019-07-09 CN disclosed
JP-2004315805-A RESIN COMPOSITION FOR LASER WELDING AND MOLDED PRODUCT WINTECH POLYMER LTD 2004-11-11 JP disclosed