SCHEMBL16111997

SCHEMBL16111997

O=P(O)(O)CNC1CCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.60
ERAP2 Q6P179 2/20 0.60
MMP2 P08253 7/20 0.48
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
MMP1 P03956 4/20 0.48
MMP8 P22894 3/20 0.48
MMP3 P08254 2/20 0.48
KDM4E B2RXH2 2/20 0.46
EPHX1 P07099 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
EPHX2 P34913 1/20 0.41
CXCR4 P61073 1/20 0.41

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 1.00 ANPEP (0.60) ANPEPERAP2MMP2CA12CA1
SCHEMBL9315989 0.79 ANPEP (0.68) ANPEPERAP2MMP2CA12CA1
SCHEMBL9564518 0.79 ANPEP (0.68) ANPEPERAP2MMP2CA12CA1
SCHEMBL9316055 0.79 ANPEP (0.68) ANPEPERAP2MMP2CA12CA1
SCHEMBL9747664 0.77 MMP2 (0.53) ANPEPERAP2MMP2CA12CA1
SCHEMBL7079587 0.75 MMP2 (0.52) ANPEPERAP2MMP2CA12CA1
SCHEMBL9747663 0.74 ANPEP (0.41) ANPEPERAP2MMP2CA12CA1
SCHEMBL11692884 0.73 LMNA (0.57) MMP2CA12CA1CA2CA9
SCHEMBL10417529 0.73 ANPEP (0.40) ANPEPERAP2MMP2CA12CA1
Phosphoric Acid SCHEMBL9860603 0.72 ALDH1A1 (0.67) ANPEPERAP2MMP2CA12CA1

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-2014160729-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS RESEARCH INDIA PVT. LTD (IN) 2014-10-02 WO disclosed