SCHEMBL9747664

SCHEMBL9747664

CCOP(=O)(O)CNC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.53
MMP1 P03956 3/20 0.53
ANPEP P15144 2/20 0.44
ERAP2 Q6P179 2/20 0.44
PPARD Q03181 1/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
MMP8 P22894 1/20 0.38
MMP3 P08254 1/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX1 P07099 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL9746636 0.77 ANPEP (0.60) MMP2MMP1ANPEPERAP2CA12
SCHEMBL16111997 0.77 ANPEP (0.60) MMP2MMP1ANPEPERAP2CA12
SCHEMBL11510848 0.76 MEN1 (0.39) PPARDKDM4EPOLBATML3MBTL1
SCHEMBL4144486 0.75 MMP2 (0.51) MMP2MMP1ANPEPERAP2CA12
SCHEMBL4144489 0.75 MMP2 (0.51) MMP2MMP1ANPEPERAP2CA12
SCHEMBL9683270 0.74 MMP2 (0.53) MMP2MMP1CA12CA1CA2
SCHEMBL7915207 0.73 PPARD (0.44) MMP2MMP1PPARDCA12CA1
SCHEMBL10842273 0.72 MMP2 (0.51) MMP2MMP1ANPEPERAP2CA12
SCHEMBL9311100 0.71 ANPEP (0.46) MMP2MMP1ANPEPERAP2KDM4E
SCHEMBL9316059 0.71 ANPEP (0.46) MMP2MMP1ANPEPERAP2KDM4E

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
US-5099056-A PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED-AMINOMETHYLPHOSPHONIC ACID DIALKYLESTERS AND OF THE CORRESPONDING ACIDS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-03-24 US disclosed