SCHEMBL6946893

SCHEMBL6946893

COc1ccc2c(CCNC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN3C(=O)c4ccccc4C3=O)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
ACHE P22303 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42

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
SCHEMBL6951435 0.94 MEN1 (0.58) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6947785 0.90 MEN1 (0.47) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6950472 0.90 MAPT (0.52) MEN1KMT2AMAPTHPGDMAPK1
SCHEMBL6953189 0.85 MEN1 (0.55) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6947006 0.79 MAPT (0.48) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL6956557 0.79 MMP9 (0.58) MMP2MMP3RAB9AMMP1MMP9
SCHEMBL6951780 0.78 MMP3 (0.46) MEN1KMT2AMMP2MMP3NPC1
SCHEMBL8387115 0.77 ECE1 (0.67)
SCHEMBL7383963 0.77 ECE1 (0.56) MMP2MMP3MMP1MMP9
SCHEMBL7432650 0.77 ECE1 (0.56) MMP2MMP3MMP1MMP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP claimed
EP-0824544-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 EP claimed
WO-1996035712-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO claimed
EP-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP disclosed
US-5994293-A Peptidyl compounds and their therapeutic use DARWIN DISCOVERY LTD. (GB) 1999-11-30 US disclosed