SCHEMBL28643163

SCHEMBL28643163

CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.56
▸ MAPT P10636 1/20 0.55
▸ CPB1 P15086 1/20 0.55
▸ CPB2 Q96IY4 1/20 0.55
▸ SIRT2 Q8IXJ6 5/20 0.54
▸ SIRT1 Q96EB6 4/20 0.54
▸ KLK7 P49862 2/20 0.52
▸ KLK5 Q9Y337 2/20 0.52
▸ SYK P43405 1/20 0.52
▸ TGM2 P21980 1/20 0.52
▸ SIRT3 Q9NTG7 3/20 0.50

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
SCHEMBL16862463 1.00 FOLH1 (0.56) FOLH1MAPTCPB1CPB2SIRT2
SCHEMBL17039826 0.90 FOLH1 (0.60) FOLH1MAPTCPB1CPB2SIRT2
SCHEMBL2467817 0.90 FOLH1 (0.65) FOLH1MAPTCPB1CPB2SIRT2
SCHEMBL1491720 0.90 FOLH1 (0.65) FOLH1MAPTCPB1CPB2SIRT2
SCHEMBL699636 0.90 FOLH1 (0.65) FOLH1MAPTCPB1CPB2SIRT2
SCHEMBL31235777 0.90 KLK7 (0.53) MAPTCPB1CPB2SIRT2SIRT1
SCHEMBL7898675 0.90 MMP1 (0.59) MAPTSIRT2SIRT1KLK7KLK5
SCHEMBL5328146 0.89 SIRT2 (0.66) FOLH1MAPTCPB1CPB2SIRT2
SCHEMBL5328141 0.89 SIRT2 (0.66) FOLH1MAPTCPB1CPB2SIRT2
SCHEMBL31235764 0.89 KLK7 (0.55) MAPTCPB1CPB2SIRT2SIRT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114917361-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2022-08-19 — — CN disclosed
CN-107635586-B Antibody-drug conjugates (ADC) of KSP inhibitors with aglycosylated anti-TWEAKR antibodies 拜耳医药股份有限公司 2021-09-24 — — CN disclosed
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