SCHEMBL18375573

SCHEMBL18375573

CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(Oc3ccccc3)Oc3ccccc3)c2)o1)[C@@H](CC)N(O)C=O

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 12/20 0.83
TLL1 O43897 3/20 0.83
TLL2 Q9Y6L7 3/20 0.83
MMP12 P39900 5/20 0.71
C3AR1 Q16581 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL18375804 0.94 BMP1 (0.85) BMP1TLL1TLL2MMP12C3AR1
SCHEMBL18255485 0.93 BMP1 (0.88) BMP1TLL1TLL2MMP12C3AR1
SCHEMBL21498503 0.92 BMP1 (0.87) BMP1TLL1TLL2MMP12C3AR1
SCHEMBL20586998 0.91 BMP1 (1.00) BMP1TLL1TLL2MMP12C3AR1
SCHEMBL16898049 0.91 BMP1 (1.00) BMP1TLL1TLL2MMP12C3AR1
SCHEMBL16898435 0.91 BMP1 (1.00) BMP1TLL1TLL2MMP12C3AR1
SCHEMBL18375782 0.90 BMP1 (0.68) BMP1TLL1TLL2MMP12C3AR1
SCHEMBL18255464 0.90 BMP1 (0.89) BMP1TLL1TLL2MMP12C3AR1
SCHEMBL18375450 0.89 BMP1 (0.80) BMP1TLL1TLL2MMP12C3AR1
SCHEMBL18375589 0.88 BMP1 (0.79) BMP1TLL1TLL2MMP12C3AR1

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-2017006296-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP1, TLL1 AND/OR TLL2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-12 WO disclosed