SCHEMBL29138474

SCHEMBL29138474

CCC(=O)N[C@@H](Cc1c(Cc2ccc(OC)cc2)[nH]c2ccccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.51
IL2 P60568 1/20 0.51
KMT2A Q03164 5/20 0.49
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
CYP2C19 P33261 3/20 0.48
MEN1 O00255 3/20 0.48
CYP2C9 P11712 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PIN1 Q13526 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
FPR2 P25090 1/20 0.43

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
SCHEMBL29138480 1.00 ALB (0.51) ALBIL2KMT2AMTNR1AMTNR1B
SCHEMBL30669507 0.92 KDM4E (0.48) ALBIL2KMT2AMTNR1AMTNR1B
SCHEMBL29138511 0.90 MTNR1A (0.52) ALBIL2KMT2AMTNR1AMTNR1B
SCHEMBL29138496 0.82 KMT2A (0.48) ALBIL2KMT2ACYP2C19MEN1
SCHEMBL29138499 0.82 KMT2A (0.48) ALBIL2KMT2ACYP2C19MEN1
SCHEMBL29138484 0.82 MTNR1A (0.52) ALBIL2KMT2AMTNR1AMTNR1B
SCHEMBL9401128 0.80 MTNR1A (0.64) KMT2AMTNR1AMTNR1BCYP2C19MEN1
SCHEMBL9401123 0.80 KDM4E (0.44) KMT2AMTNR1AMTNR1BCYP2C19MEN1
SCHEMBL29138493 0.78 MTNR1A (0.54) KMT2AMTNR1AMTNR1BCYP2C19MEN1
SCHEMBL7692306 0.78 KDM4E (0.56) KMT2AMTNR1AMTNR1BCYP2C19MEN1

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