SCHEMBL5580783

SCHEMBL5580783

COC(CCc1ccccc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MMP12 P39900 1/20 0.48
TSHR P16473 1/20 0.46
ERAP1 Q9NZ08 4/20 0.45
ERAP2 Q6P179 3/20 0.45
ANPEP P15144 2/20 0.45
LMNA P02545 1/20 0.45
SRR Q9GZT4 1/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
IL1RN P18510 2/20 0.44
ALDH1A1 P00352 2/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 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
SCHEMBL2729126 0.86 PPARG (0.58) KMT2APPARGPPARAMMP12TSHR
SCHEMBL6628870 0.86 PPARG (0.58) KMT2APPARGPPARAMMP12TSHR
SCHEMBL4780746 0.82 SRR (0.61) PPARGPPARASRR
Hydrochloric Acid SCHEMBL5754335 0.82 SRR (0.61) PPARGPPARASRR
SCHEMBL3653035 0.81 SLC1A3 (0.49) KMT2APPARGPPARAMMP12TSHR
SCHEMBL6632835 0.80 SMN1; SMN2 (0.54) KMT2APPARGPPARAMMP12TSHR
SCHEMBL6632836 0.80 SMN1; SMN2 (0.54) KMT2APPARGPPARAMMP12TSHR
Hydrochloric Acid SCHEMBL27655131 0.80 PPARG (0.46) KMT2APPARGPPARAMMP12TSHR
SCHEMBL7507138 0.79 PPARG (0.44) KMT2APPARGPPARATSHRERAP1
SCHEMBL7495011 0.78 PPARG (0.61) KMT2APPARGPPARATSHRSRR

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
EP-1799208-A2 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES Brystol-Myers Squibb Company (US) 2007-06-27 EP disclosed
WO-2006044359-A2 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-27 WO disclosed