SCHEMBL28677336

SCHEMBL28677336

COc1c(O)ccc(C=CC(=O)OC(C)Br)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL28664191 0.86 MAPT (0.40) KDM4EMAPTALDH1A1TP53ALOX15
SCHEMBL28658482 0.85 CA12 (0.46) KDM4EMAPTALDH1A1TP53ALOX15
SCHEMBL28659724 0.82 MAPT (0.50) KDM4EMAPTALDH1A1TP53ALOX15
SCHEMBL28660518 0.78 MAOB (0.49) KDM4EMAPTALDH1A1TP53ALOX15
SCHEMBL27653338 0.77 CA12 (0.51) KDM4EMAPTALDH1A1TP53ALOX15
SCHEMBL6835989 0.74 CA1 (0.54) MAPTALDH1A1HPGDCA1CA2
SCHEMBL19127383 0.73 KDM4E (0.51) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL28672398 0.71 EPHX2 (0.70) KDM4EMAPTALDH1A1TP53ALOX15
SCHEMBL28928690 0.70 KDM4E (0.55) KDM4EMAPTALDH1A1MEN1HPGD
SCHEMBL669296 0.70 HCAR2 (0.53) KDM4EMAPTALDH1A1TP53ALOX15

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-113801022-A Ferulic acid eugenol and isoeugenol heterozygote and application thereof 贵州大学 2021-12-17 CN disclosed