SCHEMBL28185451

SCHEMBL28185451

c1c(COCC2CO2)cc(COCC2CO2)cc1COCC1CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 8/20 0.44
TP53 P04637 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.37
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MGLL Q99685 2/20 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
SCHEMBL16602090 0.90 TSHR (0.41) TSHRALDH1A1TP53SMN1; SMN2HIF1A
SCHEMBL14397248 0.88 TSHR (0.52) TSHRALDH1A1TP53SMN1; SMN2HIF1A
SCHEMBL730323 0.88 TSHR (0.52) TSHRALDH1A1TP53SMN1; SMN2HIF1A
SCHEMBL731016 0.86 TSHR (0.48) TSHRALDH1A1TP53SMN1; SMN2HIF1A
SCHEMBL3751458 0.86 ALDH1A1 (0.46) TSHRALDH1A1TP53SMN1; SMN2HIF1A
Ethylene SCHEMBL28194681 0.83 ALDH1A1 (0.45) TSHRALDH1A1TP53SMN1; SMN2HIF1A
SCHEMBL18889549 0.82 TSHR (0.46) TSHRALDH1A1TP53SMN1; SMN2HIF1A
SCHEMBL23266129 0.82 TSHR (0.48) TSHRALDH1A1TP53SMN1; SMN2HIF1A
SCHEMBL17426916 0.82 ALDH1A1 (0.42) TSHRALDH1A1TP53SMN1; SMN2HIF1A
SCHEMBL28002102 0.82 ALDH1A1 (0.42) TSHRALDH1A1TP53SMN1; SMN2HIF1A

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
CN-107272340-A Colored curable resin composition 住友化学株式会社 2017-10-20 CN disclosed