SCHEMBL8918708

SCHEMBL8918708

CC(C)(C)OC(=O)N1CCC[C@@H]1CCCCC[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 5/20 0.44
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
ACE P12821 1/20 0.43
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
FOLH1 Q04609 1/20 0.42
OPRD1 P41143 1/20 0.41
STAT6 P42226 1/20 0.41
PPARG P37231 2/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.40
KDM1A O60341 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
SCHEMBL13086353 0.85 MEN1 (0.48) KLK7OPRD1STAT6
SCHEMBL13086597 0.85 MEN1 (0.48) KLK7OPRD1STAT6
SCHEMBL6012084 0.85 MEN1 (0.48) KLK7OPRD1STAT6
SCHEMBL13086595 0.84 MEN1 (0.49) KLK7OPRD1STAT6
SCHEMBL13086758 0.83 MEN1 (0.50) KLK7OPRD1STAT6
SCHEMBL2689602 0.81 KLK7 (0.49) NR1H2NR1H3KLK7OPRD1KDM1A
SCHEMBL3046705 0.81 KLK7 (0.49) NR1H2NR1H3KLK7OPRD1KDM1A
SCHEMBL13086596 0.81 KLK7 (0.49) NR1H2NR1H3KLK7OPRD1KDM1A
SCHEMBL6012057 0.80 ATM (0.44) KLK7OPRD1KDM1A
SCHEMBL8917522 0.80 ACE2 (0.42) ACE2NR1H2NR1H3ACEKLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686565-A ANTIINFLAMMATORY AGENTS SCIOS INC. (US) 1997-11-11 US disclosed
US-5552383-A ANALGESIC, ANTIINFLAMMATORY FOR WOUNDS SCIOS NOVA INC. (US) 1996-09-03 US disclosed