SCHEMBL7937244

SCHEMBL7937244

C=CCC(CO)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.47
ESR2 Q92731 10/20 0.47
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
AR P10275 1/20 0.37
HPGD P15428 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
ESRRG P62508 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SHBG P04278 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KIF11 P52732 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL677567 0.90 ESR1 (0.52) ESR1ESR2TSHRCYP3A4LMNA
SCHEMBL16684959 0.75 ESR1 (0.40) ESR1ESR2TSHRCYP3A4LMNA
SCHEMBL11564596 0.75 HRH3 (0.44) ESR1ESR2TSHRCYP3A4LMNA
SCHEMBL11301676 0.73 ESR1 (0.55) ESR1ESR2TSHRCYP3A4LMNA
SCHEMBL5459169 0.73 ESR1 (0.48) ESR1ESR2TSHRCYP3A4LMNA
SCHEMBL10907259 0.73 ESR1 (0.39) ESR1ESR2TSHRCYP3A4LMNA
SCHEMBL11437777 0.73 SHBG (0.55) ESR1ESR2TSHRCYP3A4LMNA
SCHEMBL6894379 0.72 ESR1 (0.78) ESR1ESR2TSHRCYP3A4LMNA
SCHEMBL14531850 0.72 ESR1 (0.56) ESR1ESR2TSHRCYP3A4LMNA
SCHEMBL239232 0.71 ESR1 (0.50) ESR1ESR2TSHRCYP3A4LMNA

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
US-6258498-B1 POLYCARBONATE PROTECTIVE COATING CANON KABUSHIKI KAISHA (JP) 2001-07-10 US disclosed