SCHEMBL28940563

SCHEMBL28940563

C=CC(=O)OCCCOc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
HPGD P15428 3/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
MAPT P10636 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PPARA Q07869 2/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
TGM2 P21980 1/20 0.42

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
SCHEMBL14275372 0.97 THRB (0.55) THRBHPGDTSHRALDH1A1CYP3A4
SCHEMBL18815067 0.96 TSHR (0.54) THRBHPGDTSHRALDH1A1CYP3A4
SCHEMBL9788012 0.96 TSHR (0.54) THRBHPGDTSHRALDH1A1CYP3A4
SCHEMBL12604094 0.93 THRB (0.65) THRBHPGDTSHRALDH1A1HRH2
SCHEMBL12112436 0.92 THRB (0.59) THRBHPGDTSHRALDH1A1CYP3A4
SCHEMBL12172631 0.92 THRB (0.63) THRBHPGDTSHRALDH1A1CYP3A4
SCHEMBL19039556 0.91 TSHR (0.59) THRBHPGDTSHRALDH1A1CYP3A4
SCHEMBL20312218 0.90 THRB (0.46) THRBHPGDTSHRCYP3A4HRH2
SCHEMBL17716764 0.89 THRB (0.69) THRBHPGDTSHRALDH1A1CYP3A4
SCHEMBL12172632 0.89 THRB (0.63) THRBHPGDTSHRALDH1A1CYP3A4

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-115301082-A Nanoscale microporous filter membrane, preparation method and application thereof 上海先认新材料合伙企业(有限合伙) 2022-11-08 CN claimed