SCHEMBL22330622

SCHEMBL22330622

CNCCC[C@H](NC)C(=O)NC(C)Cc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ APAF1 O14727 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ACE P12821 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ECE1 P42892 7/20 0.49
▸ MMP9 P14780 3/20 0.49
▸ MMP8 P22894 3/20 0.49
▸ MMP1 P03956 2/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ TACR3 P29371 1/20 0.48
▸ NMBR P28336 1/20 0.48
▸ MMP2 P08253 2/20 0.48

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
SCHEMBL22330611 0.90 GHSR (0.52) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL24396112 0.83 ACE (0.48) ACEECE1MMP9MMP8MMP1
SCHEMBL14521512 0.81 KDM4E (0.63) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL22799935 0.81 ECE1 (0.54) ACEECE1MMP9MMP8MMP1
SCHEMBL20385839 0.80 ECE1 (0.53) ACEECE1MMP9MMP8MMP1
SCHEMBL20385916 0.80 ECE1 (0.53) ACEECE1MMP9MMP8MMP1
SCHEMBL20385886 0.80 ECE1 (0.53) ACEECE1MMP9MMP8MMP1
SCHEMBL20385815 0.80 ECE1 (0.53) ACEECE1MMP9MMP8MMP1
SCHEMBL20793391 0.80 ECE1 (0.55) ACEECE1
SCHEMBL24420897 0.79 ACE (0.51) ACEECE1MMP9MMP8MMP1

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
EP-3704134-B1 ANTIMICROBIAL TETRAPEPTIDES DSM IP ASSETS BV (NL) 2021-12-22 — — EP disclosed
EP-3692978-A1 NOVEL METHOD DSM IP Assets B.V. (NL) 2020-08-12 — — EP disclosed
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