SCHEMBL22476529

SCHEMBL22476529

CCCNC(=O)C(Cc1ccccc1)NC(=O)C(C)C(OC)C1CCCN1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.41
ACE P12821 1/20 0.39
MMP2 P08253 1/20 0.39
ATM Q13315 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
AKT1 P31749 1/20 0.38
MMP1 P03956 1/20 0.38
FCER2 P06734 1/20 0.38
TACR2 P21452 3/20 0.38
GAA P10253 1/20 0.38
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
KLKB1 P03952 1/20 0.37

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
SCHEMBL19443278 0.89 MMP1 (0.44) ACEMMP2MMP1FCER2GAA
SCHEMBL22476544 0.89 MMP1 (0.44) ACEMMP2MMP1FCER2
SCHEMBL22476478 0.89 CAPN1 (0.42) L3MBTL1ACEAKT1MMP1FCER2
SCHEMBL23154537 0.89 ACE (0.46) POLBACEGAAALDH1A1THRB
SCHEMBL25949990 0.89 ACE (0.46) POLBACEGAAALDH1A1THRB
SCHEMBL18688556 0.89 ACE (0.46) POLBACEGAAALDH1A1THRB
SCHEMBL22476506 0.89 ACE (0.41) L3MBTL1ACEATMGAAALDH1A1
SCHEMBL21699268 0.88 CYP2C9 (0.49) L3MBTL1POLBATMGAAALDH1A1
SCHEMBL21699258 0.88 CYP2C9 (0.49) L3MBTL1POLBATMGAAALDH1A1
SCHEMBL18683750 0.85 NPC1 (0.41) L3MBTL1ATMGAAALDH1A1

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-3303366-B1 DERIVATIVES OF DOLASTATIN 10 AND USES THEREOF NEWBIO THERAPEUTICS INC (CN) 2020-09-30 EP disclosed