SCHEMBL7326205

SCHEMBL7326205

CC(C)C[C@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
REN P00797 1/20 0.46
FOLH1 Q04609 6/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
CPB2 Q96IY4 1/20 0.44
MAPT P10636 1/20 0.42
LAP3 P28838 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
NAAA Q02083 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7377441 0.79 NAAA (0.39) ALDH1A1RENMEN1KMT2ASMN1; SMN2
SCHEMBL15329358 0.77 NPSR1 (0.44) ALDH1A1RENSMN1; SMN2ITGB1ITGA4
SCHEMBL7334255 0.76 REN (0.41) ALDH1A1RENCPB2NAAA
SCHEMBL7330719 0.76 REN (0.44) ALDH1A1RENFOLH1CPB2
SCHEMBL11013796 0.76 LMNA (0.64) ALDH1A1RENLMNAKMT2ACPB2
SCHEMBL27356546 0.75 POLB (0.39) ALDH1A1RENFOLH1SMN1; SMN2ITGB1
SCHEMBL11820650 0.74 ALDH1A1 (0.50) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL11820657 0.74 ALDH1A1 (0.50) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL635477 0.74 NAAA (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2ITGB1
SCHEMBL635478 0.74 NAAA (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2ITGB1

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
US-5510531-A ANTIINFLAMMATROY AGENTS, MUSCULAR DISORDERS SUNTORY LIMITED (JP) 1996-04-23 US disclosed
EP-0393457-B1 Proteinase inhibitor SUNTORY LTD (JP) 1994-07-06 EP disclosed
US-5081284-A N-Oxomethyl-Substituted Peptide SUNTORY LIMITED (JP) 1992-01-14 US disclosed
EP-0393457-A1 Proteinase inhibitor SUNTORY LIMITED (JP) 1990-10-24 EP disclosed