SCHEMBL28907211

SCHEMBL28907211

C=CC(=O)OCCC(O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
LMNA P02545 1/20 0.40
TGM2 P21980 1/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKR1B10 O60218 3/20 0.38

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
SCHEMBL69192 0.85 THRB (0.45) THRBSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL181487 0.79 THRB (0.60) THRBKMT2AMEN1HCAR2TGM2
Benzene SCHEMBL28307095 0.78 HCAR2 (0.65) THRBKMT2AHCAR2LMNATGM2
SCHEMBL28230354 0.78 HCAR2 (0.65) THRBKMT2AHCAR2LMNATGM2
SCHEMBL34054 0.78 HCAR2 (0.65) THRBKMT2AHCAR2LMNATGM2
SCHEMBL318098 0.77 THRB (0.61) THRBHCAR2LMNAALDH1A1TSHR
SCHEMBL24709495 0.77 THRB (0.60) THRBCYP1A2CYP2D6CYP2C19HCAR2
Ethylene SCHEMBL6402744 0.76 HCAR2 (0.62) THRBKMT2AHCAR2LMNATGM2
Hydrochloric Acid SCHEMBL28804358 0.76 HCAR2 (0.62) THRBKMT2AHCAR2LMNATGM2
Ammonia Solution, Strong SCHEMBL11584311 0.76 HCAR2 (0.62) THRBKMT2AHCAR2LMNATGM2

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-109535848-B UV (ultraviolet) photocuring nano metal conductive ink 中国科学院化学研究所 2021-01-29 CN claimed
CN-109535848-B UV (ultraviolet) photocuring nano metal conductive ink 中国科学院化学研究所 2021-01-29 CN disclosed