SCHEMBL28898201

SCHEMBL28898201

c1ccc(Oc2cccc(OCC3CO3)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.80
TP53 P04637 3/20 0.80
TSHR P16473 3/20 0.80
HIF1A Q16665 2/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
CYP3A4 P08684 1/20 0.80
TDP1 Q9NUW8 1/20 0.71
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
GLA P06280 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL21266570 0.95 ALDH1A1 (0.83) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL19813823 0.95 ALDH1A1 (0.89) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL29929715 0.95 ALDH1A1 (0.89) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL7196302 0.95 ALDH1A1 (0.89) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL2898841 0.92 ALDH1A1 (0.77) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL31537002 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL37802 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL31537008 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL12289601 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL13806572 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRHIF1ASMN1; SMN2

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-115057991-A Epoxy resin 波音公司 2022-09-16 CN disclosed