SCHEMBL7444247

SCHEMBL7444247

CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ATM Q13315 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL1883194 1.00 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL19349131 0.87 MEN1 (0.61) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL14442982 0.86 KMT2A (0.69) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL11164223 0.84 KMT2A (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1885056 0.83 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL28531374 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL19895555 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL9556637 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1890159 0.82 HPGD (0.53) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL5271778 0.82 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAPOLB

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
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed