SCHEMBL30429101

SCHEMBL30429101

O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
PTPN1 P18031 4/20 0.53
TLR2 O60603 4/20 0.49
CASP3 P42574 2/20 0.48
MDM4 O15151 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL29661423 0.91 KMT2A (0.58) KMT2APTPN1TLR2CASP3MDM4
SCHEMBL31315496 0.91 KMT2A (0.58) KMT2ATLR2CASP3MDM4TP53
SCHEMBL30987800 0.90 KMT2A (0.55) KMT2APTPN1TLR2CASP3MDM4
SCHEMBL28607748 0.90 KMT2A (0.55) KMT2APTPN1TLR2CASP3MDM4
SCHEMBL28607743 0.90 KMT2A (0.55) KMT2APTPN1TLR2CASP3MDM4
SCHEMBL3576902 0.89 KMT2A (0.54) KMT2APTPN1TLR2CASP3MDM4
SCHEMBL30385094 0.89 PTPN1 (0.59) KMT2APTPN1
SCHEMBL24401717 0.88 KMT2A (0.55) KMT2APTPN1TLR2CASP3MDM4
SCHEMBL2242449 0.88 KMT2A (0.55) KMT2APTPN1TLR2CASP3MDM4
SCHEMBL27152552 0.88 KMT2A (0.52) KMT2APTPN1TLR2CASP3MDM4

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-111944038-B Synthetic method of somalupeptide 深圳市健元医药科技有限公司 2023-06-13 CN disclosed