SCHEMBL3714237

SCHEMBL3714237

CCCCOC(=O)c1cc(O)nc(NCCN2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ GAS6 Q14393 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL3713714 0.89 RXFP1 (0.43) KDM4EGAAPKMTYRO3MERTK
SCHEMBL3714672 0.83 KMT2A (0.44) KDM4EGAATYRO3MERTKGAS6
SCHEMBL3713336 0.80 ESR1 (0.41) KDM4ESMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL3711572 0.79 MAPT (0.47) KDM4EGAAPKMSMN1; SMN2MAPT
SCHEMBL3711025 0.78 ESR1 (0.39) KDM4EGAAPKMSMN1; SMN2MAPT
SCHEMBL3710281 0.77 GAA (0.43) KDM4EGAASMN1; SMN2MAPTHPGD
SCHEMBL3718647 0.77 HDAC3 (0.39) TYRO3MERTKGAS6RAB9AMAPK1
SCHEMBL3713374 0.75 ESR1 (0.46) KDM4ESMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL3713822 0.73 TSHR (0.54) KDM4EGAASMN1; SMN2MAPTHPGD
SCHEMBL3712970 0.72 ALDH1A1 (0.45) KDM4EGAAMAPTHPGDALDH1A1

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
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