SCHEMBL7365010

SCHEMBL7365010

CC(C)CCNC(=O)C1CCCC1C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
REN P00797 5/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL7357804 0.86 KLK5 (0.55) KLK5L3MBTL1KMT2AREN
SCHEMBL7359025 0.86 KLK5 (0.55) KLK5L3MBTL1KMT2AREN
SCHEMBL7360172 0.85 KLK5 (0.58) KLK5L3MBTL1KMT2ARENPSEN1
SCHEMBL7325758 0.85 KLK5 (0.58) KLK5L3MBTL1KMT2ARENPSEN1
SCHEMBL10377216 0.85 KLK5 (0.58) KLK5L3MBTL1KMT2ARENPSEN1
SCHEMBL7326978 0.84 KLK5 (0.55) KLK5L3MBTL1REN
SCHEMBL7362805 0.84 KLK5 (0.55) KLK5L3MBTL1REN
SCHEMBL7332548 0.82 KMT2A (0.53) KLK5L3MBTL1MEN1KMT2APSEN1
SCHEMBL7330949 0.80 KLK5 (0.58) KLK5MEN1KMT2ARENPSEN1
SCHEMBL7323031 0.80 KLK5 (0.58) KLK5MEN1KMT2ARENPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed