SCHEMBL28645425

SCHEMBL28645425

COC1(Br)C=CC(C(O)c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
EIF4H Q15056 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10883785 0.75 MEN1 (0.37) KDM4EALDH1A1
SCHEMBL5873466 0.74 LMNA (0.33) KDM4EALDH1A1
SCHEMBL29776330 0.74 CYP2C9 (0.34) KDM4EALDH1A1
SCHEMBL7430847 0.71
SCHEMBL29136464 0.71 TSHR (0.37)
SCHEMBL8434482 0.65 DPP4 (0.31)
SCHEMBL8906187 0.64 SLC6A3 (0.36)
Diphenylmethanol SCHEMBL11867320 0.64 SMN1; SMN2 (0.52) CNR2KDM4EALDH1A1
SCHEMBL29120336 0.62 OPRM1 (0.31)
SCHEMBL11606767 0.62 AOC3 (0.37) KDM4EALDH1A1

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-113387799-A Preparation method of gamma, gamma-diaryl ester or gamma, gamma-triaryl ester compound and product thereof 南京工业大学 2021-09-14 CN claimed