SCHEMBL28974584

SCHEMBL28974584

O=C1c2ccccc2C(=O)c2cc(/C=C/c3ccc(O)cc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
ESR1 P03372 2/20 0.53
MAOA P21397 2/20 0.53
UGT1A1 P22309 1/20 0.53
ESR2 Q92731 1/20 0.53
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 3/20 0.52
APP P05067 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52

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
SCHEMBL28974585 1.00 MAOB (0.53) MAOBESR1MAOAUGT1A1ESR2
SCHEMBL28974613 0.87 MAOB (0.57) MAOBMAOAMEN1ALDH1A1LMNA
SCHEMBL28974650 0.87 MAOB (0.57) MAOBMAOAMEN1ALDH1A1LMNA
SCHEMBL28974554 0.86 TUBB4A (0.64) MAOBESR1MAOAUGT1A1ESR2
SCHEMBL30282629 0.86 TUBB4A (0.64) MAOBESR1MAOAUGT1A1ESR2
SCHEMBL28974555 0.86 TUBB4A (0.64) MAOBESR1MAOAUGT1A1ESR2
SCHEMBL13866099 0.85 NPC1 (0.48) MAOBMAOAMEN1ALDH1A1LMNA
SCHEMBL4256980 0.84 LCK (0.63) MEN1ALDH1A1LMNAMAPTHPGD
SCHEMBL4256984 0.84 LCK (0.63) MEN1ALDH1A1LMNAMAPTHPGD
SCHEMBL28974597 0.82 NPC1 (0.63) MAOBMAOAMEN1ALDH1A1LMNA

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-115703704-A (E) -2-styryl-9, 10-anthraquinone compound and application thereof 辽宁中健医药科技有限公司 2023-02-17 CN claimed
CN-115703704-A (E) -2-styryl-9, 10-anthraquinone compound and application thereof 辽宁中健医药科技有限公司 2023-02-17 CN disclosed