SCHEMBL9709399

SCHEMBL9709399

CC(C)C[C@@H](C(=O)CC(=O)C(C)C)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.50
MMP3 P08254 3/20 0.50
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
MMP7 P09237 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP13 P45452 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.40
CTSL P07711 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL9709725 0.87 HPGD (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9329102 0.83 MMP1 (0.52) MMP1MMP3MMP2MMP9MMP8
SCHEMBL9329188 0.82 TP53 (0.47) MMP1MMP3MMP2MMP9MMP8
SCHEMBL55669 0.81 EPOR (0.52) MMP1MMP3MMP2MMP9MMP8
SCHEMBL56847 0.81 EPOR (0.52) MMP1MMP3MMP2MMP9MMP8
SCHEMBL55668 0.81 EPOR (0.52) MMP1MMP3MMP2MMP9MMP8
SCHEMBL15650703 0.80 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8
SCHEMBL15650705 0.80 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8
SCHEMBL7765570 0.80 MMP1 (0.45) MMP1MMP3MMP2MMP9MMP8
SCHEMBL5021056 0.77 MMP1 (0.48) MMP1MMP3MMP2MMP9MMP8

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
WO-1992010510-A1 DITHIOLANO- AND DITHIANOGLYCIN-CONTAINING RENIN-INHIBITING PEPTIDES, PROCESS FOR PRODUCING THE SAME AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-25 WO disclosed