SCHEMBL31124337

SCHEMBL31124337

COc1cc(C)c(C(O)c2c(OC)ncc(Cl)c2Cl)c(OC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.34
NR4A1 P22736 1/20 0.32
POLB P06746 1/20 0.31
ESR2 Q92731 1/20 0.31
MAOA P21397 2/20 0.31
RORC P51449 1/20 0.30
PDE5A O76074 1/20 0.30
CYP19A1 P11511 1/20 0.30
NQO2 P16083 1/20 0.30
EPHB4 P54760 1/20 0.30
FYN P06241 1/20 0.30
AURKA O14965 1/20 0.30
KDR P35968 1/20 0.30
AURKB Q96GD4 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
SCHEMBL676638 1.00 MDM2 (0.34) MDM2NR4A1POLBESR2MAOA
SCHEMBL5942495 0.92 MDM2 (0.35) MDM2NR4A1POLBESR2MAOA
SCHEMBL5942565 0.91 MAOA (0.31) MDM2NR4A1MAOARORCPDE5A
SCHEMBL677216 0.90 MDM2 (0.34) MDM2NR4A1POLBESR2MAOA
SCHEMBL31124325 0.90 MDM2 (0.34) MDM2NR4A1POLBESR2MAOA
SCHEMBL6246609 0.88 MDM2 (0.33) MDM2NR4A1POLBESR2
SCHEMBL6246269 0.88 RORC (0.31) RORC
SCHEMBL677643 0.88 ULK1 (0.31) POLB
SCHEMBL5942267 0.87 MDM2 (0.32) MDM2NR4A1AURKAKDRAURKB
SCHEMBL6246188 0.87 MDM2 (0.35) MDM2NR4A1POLBESR2RORC

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-112441967-B Preparation method of methoxybenzene cry bacterial intermediate 南北兄弟药业投资有限公司 2024-10-29 CN disclosed