SCHEMBL7544847

SCHEMBL7544847

COC(=O)C(Cc1ccc(OCC(C)(C)C)cc1)NC(=O)[C@H](CC(C)C)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 2/20 0.53
ERAP2 Q6P179 2/20 0.53
ERAP1 Q9NZ08 2/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
PPARG P37231 1/20 0.49
TSHR P16473 1/20 0.49
PSMB5 P28074 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL7544851 1.00 IL1RN (0.53) IL1RNERAP2ERAP1ALDH1A1MEN1
SCHEMBL7538677 0.92 ACE (0.55) PPARGPSMB5MMEACECPA1
SCHEMBL7538685 0.92 ACE (0.55) PPARGPSMB5MMEACECPA1
SCHEMBL7541086 0.85 ALDH1A1 (0.53) IL1RNERAP2ERAP1ALDH1A1MEN1
SCHEMBL7541085 0.85 ALDH1A1 (0.53) IL1RNERAP2ERAP1ALDH1A1MEN1
SCHEMBL7541807 0.81 IL1RN (0.49) IL1RNERAP2ERAP1ALDH1A1PPARG
SCHEMBL7541803 0.81 IL1RN (0.49) IL1RNERAP2ERAP1ALDH1A1PPARG
SCHEMBL8415923 0.77 REN (0.65) IL1RNERAP2ERAP1PPARGCAPN1
SCHEMBL7540882 0.77 MME (0.55) PPARGMMEACECPA1ACE2
Hydrochloric Acid SCHEMBL8414461 0.77 ERAP2 (0.66) IL1RNERAP2ERAP1ALDH1A1PPARG

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed