SCHEMBL28635640

SCHEMBL28635640

OCC(O)C(OC(c1ccc(O)cc1)C(O)CO)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
HIF1A Q16665 2/20 0.42
HTR3A P46098 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 2/20 0.41
APEX1 P27695 1/20 0.41
ESR1 P03372 9/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL11641922 0.82 PPARG (0.40) TSHRTDP1KDM4ECYP3A4MAPT
SCHEMBL7294407 0.82 AOC3 (0.38) HIF1ATSHRNFKB1TDP1LMNA
SCHEMBL502622 0.81 LMNA (0.40) TAAR1TSHRKDM4ELMNASLC6A2
SCHEMBL7740121 0.76 PPARG (0.48) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL28311929 0.76 TAAR1 (0.46) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL9288192 0.72 ESR1 (0.50) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL10995454 0.71 TRPA1 (0.43) HIF1ATSHRNFKB1ALOX15KDM4E
SCHEMBL7895108 0.70 TAAR1 (0.62) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL950885 0.70 TAAR1 (0.62) TAAR1HIF1AHTR3ATSHRNFKB1
SCHEMBL10354422 0.69 TDP1 (0.48) TAAR1HIF1AHTR3ATSHRNFKB1

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-113416123-B Monomer compound separated from trichoderma reesei strain, preparation method and application 青海省农林科学院 2023-04-25 CN disclosed
CN-113416123-A Monomeric compound separated from trichoderma polyspora strain, preparation method and application 青海省农林科学院 2021-09-21 CN disclosed