SCHEMBL21781830

SCHEMBL21781830

COC(C(C)C(=O)NC(CC(=O)NCc1ccc(N)cc1)Cc1ccccc1)C1CCCN1C=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPID Q08752 8/20 0.38
PPIG Q13427 5/20 0.38
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
PPIB P23284 3/20 0.36
PPIA P62937 1/20 0.36
MMP1 P03956 1/20 0.35
FCER2 P06734 1/20 0.35
RAB9A P51151 1/20 0.35
MMEL1 Q495T6 1/20 0.34
KLKB1 P03952 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL22476440 0.83 F2 (0.38) DPP4DPP8MMEL1MEN1KMT2A
SCHEMBL18683750 0.81 NPC1 (0.41) RAB9AMEN1KMT2A
SCHEMBL18688556 0.79 ACE (0.46) KMT2A
SCHEMBL23154537 0.79 ACE (0.46) KMT2A
SCHEMBL25949990 0.79 ACE (0.46) KMT2A
SCHEMBL22476506 0.79 ACE (0.41)
SCHEMBL21699268 0.78 CYP2C9 (0.49) TSHR
SCHEMBL21699258 0.78 CYP2C9 (0.49) TSHR
SCHEMBL22476544 0.78 MMP1 (0.44) MMP1FCER2
SCHEMBL19443278 0.78 MMP1 (0.44) MMP1FCER2

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-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed