SCHEMBL28179455

SCHEMBL28179455

COc1cccc(Cn2cccc2-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.55
▸ LPO P22079 3/20 0.50
▸ BCHE P06276 3/20 0.50
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.47
▸ ABCB1 P08183 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44

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
SCHEMBL28179429 0.89 MAOB (0.53) MAOBBCHELMNATP53MAPT
SCHEMBL28851823 0.89 CYP11B1 (0.51) MAOBBCHETP53SIGMAR1ABCB1
SCHEMBL28815504 0.89 CYP11B1 (0.51) MAOBBCHETP53SIGMAR1ABCB1
SCHEMBL28179447 0.86 REV1 (0.50) LMNAMAPTABCB1
SCHEMBL28179445 0.86 MAPK14 (0.51) MAOBBCHELMNATP53MAPT
SCHEMBL28179451 0.85 TDP1 (0.47) MAOBTP53MAPT
SCHEMBL28178663 0.84 MGAM (0.47) ABCB1
SCHEMBL28179465 0.82 CYP11B1 (0.56) LMNATP53MAPTSIGMAR1
SCHEMBL27992859 0.81 REV1 (0.53) LMNATP53MAPTABCB1
SCHEMBL27992857 0.81 L3MBTL1 (0.51) MAOBBCHELMNAABCB1

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-104370793-B Pyroles marine alkaloids Neolamellarin A analogs and its preparation method and application 中国海洋大学 2017-10-17 — — CN disclosed
CN-104370793-A Pyrrole ocean alkaloids Neolamellarin A analogue and preparation method and application thereof OCEAN UNIV CHINA 2015-02-25 — — CN disclosed
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