SCHEMBL28879239

SCHEMBL28879239

N[C@H](Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ NOS3 P29474 5/20 0.47
▸ NOS1 P29475 5/20 0.47
▸ NOS2 P35228 5/20 0.47
▸ PKM P14618 2/20 0.46
▸ ALPI P09923 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ PMP22 Q01453 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ MPO P05164 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ RECQL P46063 2/20 0.45

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
SCHEMBL1072482 1.00 KMT2A (0.55) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL22122444 1.00 KMT2A (0.55) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL5527768 0.81 KMT2A (0.55) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL29482763 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL93515 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL660499 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL29397858 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL93516 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL29397866 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
Pyrene SCHEMBL28205462 0.79 SLC7A5 (0.76) NOS3NOS1NOS2PKMALPI

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-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 — — CN disclosed
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