SCHEMBL22561364

SCHEMBL22561364

CNCCCC(NC)C(=O)Nc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)C(C)C(OC)C2CCCN2C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
FKBP4 Q02790 1/20 0.38
KLKB1 P03952 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
MMP1 P03956 3/20 0.37
FCER2 P06734 1/20 0.37
OPRK1 P41145 1/20 0.37
LCK P06239 2/20 0.37
MMP8 P22894 1/20 0.36
AKT1 P31749 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP30 Q70CQ3 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL21781778 0.93 KLKB1 (0.40) KDM1AFKBP4KLKB1MMP1FCER2
SCHEMBL21782055 0.87 FKBP4 (0.39) KDM1AFKBP4KLKB1MMP1FCER2
SCHEMBL21781988 0.86 KDM1A (0.41) KDM1AFKBP4KLKB1LCKAKT1
SCHEMBL21781982 0.83 AKT1 (0.31) ITGB1ITGA5AKT1
SCHEMBL22476544 0.82 MMP1 (0.44) MMP1FCER2MMP8
SCHEMBL22561398 0.82 ITGB1 (0.33) FKBP4KLKB1ITGB1ITGA5MMP1
SCHEMBL22476529 0.80 L3MBTL1 (0.45) KLKB1MMP1FCER2AKT1
SCHEMBL19443278 0.79 MMP1 (0.44) MMP1FCER2MMP8
SCHEMBL23154537 0.79 ACE (0.46) KMT2A
SCHEMBL18688556 0.79 ACE (0.46) KMT2A

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-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 EP disclosed