SCHEMBL28632540

SCHEMBL28632540

COc1c(O)c(OC)c2ccc3cc(O)ccc3c2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
ABL1 P00519 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CDK5 Q00535 1/20 0.41
MCL1 Q07820 1/20 0.41
RIN1 Q13671 1/20 0.41
CDK5R1 Q15078 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40

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
Nudol SCHEMBL3971615 0.80 TUBB4A (0.54) ESR1ESR2ABL1KDM4EGAA
SCHEMBL5804555 0.79 TUBB4A (0.64) ESR1ESR2ABL1KDM4EGAA
SCHEMBL27939366 0.78 MAPT (0.52) ESR1ESR2ABL1KDM4EGAA
SCHEMBL9623607 0.75 ESR1 (0.75) ESR1ESR2ABL1KDM4EGAA
SCHEMBL28245550 0.73 MAPT (0.51) ESR1ESR2ABL1KDM4EGAA
Flavanthrinin SCHEMBL29054933 0.72 ESR1 (0.51) ESR1ESR2ABL1KDM4EGAA
Flavanthrinin SCHEMBL30544847 0.72 ESR1 (0.51) ESR1ESR2ABL1KDM4EGAA
Flavanthrinin SCHEMBL30544846 0.72 ESR1 (0.51) ESR1ESR2ABL1KDM4EGAA
SCHEMBL3807213 0.72 KDM4E (0.40) ESR1ESR2KDM4EGAAPOLB
SCHEMBL19612320 0.72 ESR1 (0.50) ESR1ESR2ABL1KDM4EGAA

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-113403362-A Method for detecting effect of 1,5, 6-trimethoxy-2, 7-dihydroxyphenanthrene on HepG-2 cells and application 沈阳药科大学 2021-09-17 CN disclosed
CN-113384564-A Application of p53 target-based trimethoxy dihydroxy phenanthrene compound in cervical cancer resistance and detection method 沈阳药科大学 2021-09-14 CN disclosed