SCHEMBL8336704

SCHEMBL8336704

COc1ccc(CCC[C@H](N)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CALM1 P0DP23 1/20 0.43
MMP1 P03956 2/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
F2RL1 P55085 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CACNA1B Q00975 1/20 0.40
POLB P06746 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
SCHEMBL5702592 0.85 LDHA (0.46) ALOX5CALM1MMP1F2RL1ALDH1A1
SCHEMBL2722383 0.76 F2RL1 (0.60) ALOX5F2RL1ALDH1A1POLB
SCHEMBL27459521 0.76 ALDH1A1 (0.47) ANPEPERAP2F2RL1ALDH1A1
SCHEMBL6934308 0.75 CYP1A2 (0.49) MMP1ALDH1A1
SCHEMBL5495307 0.75 S1PR1 (0.51) S1PR2S1PR1
SCHEMBL5495309 0.75 S1PR1 (0.51) S1PR2S1PR1
Trifluoroacetic Acid SCHEMBL4313504 0.74 ALOX15 (0.47) ALOX5CALM1
SCHEMBL1586966 0.74 TAAR1 (0.56) ALOX5CALM1
SCHEMBL1134589 0.74 PPARG (0.47) ALOX5CALM1MMP1ANPEPERAP2
SCHEMBL1134521 0.74 PPARG (0.52) MMP1ALDH1A1MMP2MMP3CACNA1B

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
WO-2004056750-A1 CYCLOPENTIL-SUBSTITUTED GLUTARAMIDE COMPOUNDS AS ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 WO disclosed