SCHEMBL28041463

SCHEMBL28041463

C(OCC1CO1)C1CO1.CC(C)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ESRRG P62508 1/20 0.38
TSHR P16473 5/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 5/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 2/20 0.36
PTGS1 P23219 2/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL234680 0.90 ESR1 (0.53) ESR1ESR2PDCD1CD274TSHR
SCHEMBL17386348 0.86 TSHR (0.39) ESR1ESR2PDCD1CD274TSHR
SCHEMBL28140186 0.86 TSHR (0.39) ESR1ESR2PDCD1CD274TSHR
SCHEMBL8661945 0.86 ESR1 (0.41) ESR1ESR2PDCD1CD274TSHR
Hydroquinone SCHEMBL50263 0.86 TSHR (0.48) TSHRMAPK1SMN1; SMN2ALDH1A1GLA
SCHEMBL29184953 0.84 ESR1 (0.47) ESR1ESR2PDCD1CD274IDO1
SCHEMBL232506 0.84 ESR1 (0.42) ESR1ESR2TSHRMAPK1SMN1; SMN2
4-Aminophenol SCHEMBL5675745 0.81 ALDH1A1 (0.48) ESR1ESR2TSHRMAPK1SMN1; SMN2
P-Cresol SCHEMBL3682617 0.81 ACHE (0.48) ESR2TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL10697650 0.81 TDP1 (0.45) IDO1ALDH1A1GLATDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102565-A Adhesive sheet NITTO DENKO CORP 2015-11-25 CN disclosed
CN-105073929-A Adhesive sheet NITTO DENKO CORP 2015-11-18 CN disclosed
CN-105051137-A Adhesive sheet NITTO DENKO CORP 2015-11-11 CN disclosed