SCHEMBL21254306

SCHEMBL21254306

CC(C)[C@H](NN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 7/20 0.38
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADAM10 O14672 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ ADAM8 P78325 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ MAP1LC3B Q9GZQ8 1/20 0.33
▸ REN P00797 1/20 0.33
▸ NPY4R P50391 3/20 0.33
▸ NPY1R P25929 2/20 0.33
▸ NPY2R P49146 2/20 0.33
▸ NPY5R Q15761 2/20 0.33

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
SCHEMBL22873329 0.90 SIRT2 (0.39) FURINHTTSMN1; SMN2SIRT1MAP1LC3B
SCHEMBL24728301 0.88 FURIN (0.42) FURINHTTSMN1; SMN2LMNAPOLB
SCHEMBL20206643 0.88 FURIN (0.42) FURINHTTSMN1; SMN2LMNAPOLB
SCHEMBL14234316 0.88 FURIN (0.42) FURINHTTSMN1; SMN2LMNAPOLB
SCHEMBL20029727 0.85 FURIN (0.35) FURINHTTLMNAPOLBKMT2A
SCHEMBL18244334 0.85 FAP (0.40) FURINHTTSMN1; SMN2MAP1LC3BNPY4R
SCHEMBL18244335 0.85 FAP (0.40) FURINHTTSMN1; SMN2MAP1LC3BNPY4R
SCHEMBL21965275 0.85 FURIN (0.41) FURINHTTSMN1; SMN2SIRT1
SCHEMBL21122921 0.85 FURIN (0.41) FURINHTTSMN1; SMN2LMNAPOLB
SCHEMBL17133811 0.85 FURIN (0.45) FURINHTTSMN1; SMN2LMNAPOLB

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-3524273-A1 CYSTEINE MODIFIED ANTIBODY-DRUG CONJUGATE AND PREPARATION METHOD THEREOF Sichuan Baili Pharm Co., Ltd. (CN) 2019-08-14 — — EP disclosed
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