SCHEMBL30855386

SCHEMBL30855386

C[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.37
▸ PTGS2 P35354 4/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ NPY5R Q15761 3/20 0.34
▸ NPY1R P25929 2/20 0.34
▸ NPY4R P50391 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL19019939 1.00 PTGS1 (0.37) PTGS1PTGS2KMT2ANPY5RNPY1R
SCHEMBL25786259 0.99 PTGS1 (0.37) PTGS1PTGS2KMT2ANPY5RNPY1R
SCHEMBL30855381 0.92 PTGS1 (0.36) PTGS1PTGS2KMT2ANPY5RNPY1R
SCHEMBL19019929 0.90 PTGS1 (0.37) PTGS1PTGS2KMT2ANPY5RNPY1R
SCHEMBL19375644 0.90 MMP3 (0.35) PTGS1PTGS2KMT2ANPY5RNPY1R
SCHEMBL17823173 0.90 PTGS1 (0.40) PTGS1PTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL17823174 0.90 PTGS1 (0.40) PTGS1PTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL31014151 0.90 KMT2A (0.39) PTGS1PTGS2KMT2ANPY5RNPY1R
SCHEMBL28504965 0.89 PTGS1 (0.38) PTGS1PTGS2KMT2AHRH1ALDH1A1
SCHEMBL22459909 0.89 MMP3 (0.35) PTGS1PTGS2KMT2ANPY5RNPY1R

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
EP-4331616-A1 ANTIBODY DRUG CONJUGATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Tsinghua University (CN) 2024-03-06 — — EP disclosed
Send feedback