SCHEMBL29138511

SCHEMBL29138511

COc1ccc(Cc2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.52
MTNR1B P49286 4/20 0.52
KMT2A Q03164 4/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2C9 P11712 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 3/20 0.50
ALB P02768 1/20 0.50
IL2 P60568 1/20 0.50
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
LMNA P02545 1/20 0.45
FPR2 P25090 1/20 0.45
CAPN1 P07384 2/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL29138474 0.90 ALB (0.51) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9
SCHEMBL29138480 0.90 ALB (0.51) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9
SCHEMBL29138484 0.89 MTNR1A (0.52) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9
SCHEMBL29138493 0.88 MTNR1A (0.54) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9
SCHEMBL29138501 0.84 MTNR1A (0.50) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9
SCHEMBL29138503 0.84 MTNR1A (0.50) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9
SCHEMBL30669507 0.82 KDM4E (0.48) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9
SCHEMBL29138498 0.82 KMT2A (0.50) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9
SCHEMBL29138494 0.82 KMT2A (0.50) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9
SCHEMBL29138488 0.80 EGFR (0.47) MTNR1AMTNR1BKMT2ACYP2C19CYP2C9

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-117069645-A Tryptophan and C2 alkylation modification method for tryptophan-containing polypeptide 兰州大学 2023-11-17 CN disclosed