SCHEMBL9683565

SCHEMBL9683565

CCCCCCCCCCOC(=O)CCNC(=O)C(Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)OC(OC(=O)CC)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
TLR2 O60603 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.37
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MMEL1 Q495T6 2/20 0.36
REN P00797 1/20 0.36

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
SCHEMBL7309636 0.95 TLR2 (0.41) L3MBTL1TLR2MEN1ALDH1A1HPGD
SCHEMBL7311781 0.94 TLR2 (0.38) TLR2
Hydrochloric Acid SCHEMBL9683593 0.93 TLR2 (0.38) TLR2
SCHEMBL7319953 0.93 L3MBTL1 (0.39) L3MBTL1TLR2MEN1ALDH1A1HPGD
SCHEMBL7319346 0.91 MEN1 (0.40) MEN1ALDH1A1HPGDKMT2A
SCHEMBL7320312 0.91 L3MBTL1 (0.39) L3MBTL1MMEL1
SCHEMBL7314444 0.90 TLR2 (0.39) L3MBTL1TLR2MEN1ALDH1A1HPGD
SCHEMBL7314499 0.89 HRH4 (0.41) L3MBTL1MEN1ALDH1A1HPGDKMT2A
SCHEMBL7322726 0.89 TLR2 (0.40) L3MBTL1TLR2MEN1ALDH1A1HPGD
SCHEMBL7310006 0.88 MMEL1 (0.48) L3MBTL1MMEL1

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
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP claimed