SCHEMBL13983663

SCHEMBL13983663

CCCCOC(C)(C)C(C)(C)Oc1ccc(C=O)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ TRIM24 O15164 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ ERN1 O75460 2/20 0.33
▸ FBP1 P09467 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ CRHR1 P34998 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16020852 0.80 LMNA (0.47) LMNAPRKDCALDH1A1PTPN1ERN1
SCHEMBL13983399 0.77 LPL (0.32) —
SCHEMBL28095482 0.74 ERN1 (0.50) LMNAPRKDCALDH1A1TRIM24TYR
SCHEMBL30091707 0.72 LMNA (0.43) LMNAPRKDCALDH1A1TRIM24TYR
SCHEMBL22272552 0.72 LMNA (0.43) LMNAPRKDCALDH1A1TRIM24TYR
SCHEMBL13127068 0.72 LTA4H (0.46) ALDH1A1ERN1SMN1; SMN2CYP1A2KDM4E
SCHEMBL15145284 0.70 LMNA (0.59) LMNAPRKDCALDH1A1TRIM24TYR
SCHEMBL15147553 0.70 GAA (0.47) LMNAPRKDCALDH1A1TRIM24TYR
SCHEMBL437463 0.69 ALDH1A1 (0.66) LMNAPRKDCALDH1A1TRIM24TYR
Ethane SCHEMBL28205235 0.68 ALDH1A1 (0.63) LMNAPRKDCALDH1A1TRIM24TYR

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
WO-2008157726-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2008-12-24 — — WO disclosed
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