SCHEMBL19033477

SCHEMBL19033477

CC(=O)[C@H](CCCCN)NSc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 4/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ TLR2 O60603 2/20 0.42
▸ MMP1 P03956 4/20 0.41
▸ MMP3 P08254 4/20 0.41
▸ F2 P00734 3/20 0.40
▸ F10 P00742 1/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ CPA1 P15085 1/20 0.38
▸ CPA2 P48052 1/20 0.38
▸ CPA4 Q9UI42 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ EPOR P19235 1/20 0.37

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
SCHEMBL24859932 0.78 MMP9 (0.47) MMP9MMP2TLR2MMP1MMP3
SCHEMBL13744807 0.73 ANPEP (0.49) MMP2TLR2MMP1MMP3ANPEP
SCHEMBL7225611 0.72 MMP2 (0.45) MMP9MMP2TLR2CPA1CPA2
SCHEMBL7225608 0.72 MMP2 (0.45) MMP9MMP2TLR2CPA1CPA2
SCHEMBL16856622 0.71 MMP2 (0.56) MMP9MMP2MMP1MMP3ANPEP
SCHEMBL22695988 0.71 MMP2 (0.56) MMP9MMP2MMP1MMP3ANPEP
SCHEMBL2327179 0.71 KDM4E (0.38) —
SCHEMBL6048015 0.71 KDM4E (0.38) —
SCHEMBL18818106 0.70 CYP3A4 (0.52) MMP9MMP2TLR2MMP1MMP3
SCHEMBL14230866 0.70 MMP2 (0.48) MMP9MMP2TLR2ANPEPHPGDS

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-9687562-B2 Polymers having therapeutically active agents conjugated thereto, processes of preparing same and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-06-27 — — US disclosed
Send feedback