SCHEMBL5015677

SCHEMBL5015677

CC(C)(C)OC(=O)NC(CCCCc1nc(C(=O)O)co1)NC(=O)OCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.40
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
CTSK P43235 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
SYK P43405 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PKM P14618 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL5015698 0.93 FPR2 (0.40) FPR2HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5014193 0.80 CTSK (0.37) MAPTCTSKATMCTSSITGB3
SCHEMBL5015675 0.79 MAPT (0.59) MAPTMEN1KMT2ALMNATSHR
SCHEMBL5058970 0.75 KEAP1 (0.38) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5015696 0.72 MAPT (0.56) MAPTMEN1KMT2ALMNATSHR
SCHEMBL7893434 0.69 MAPT (0.53) MAPTTSHRKEAP1NFE2L2ITGB3
SCHEMBL7759126 0.69 MAPT (0.53) MAPTTSHRKEAP1NFE2L2ITGB3
SCHEMBL6129649 0.69 TGM2 (0.55) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30600455 0.69 MAPT (0.53) MAPTTSHRKEAP1NFE2L2ITGB3
SCHEMBL6129662 0.69 TGM2 (0.55) HPGDCYP1A2CYP3A4CYP2D6CYP2C9

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-2008009942-A1 HETEROAROMATIC-BASED PEPTIDE MACROCYCLES AS G-QUADRUPLEX LIGANDS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-01-24 WO disclosed