SCHEMBL13620606

SCHEMBL13620606

COc1ccc(C=O)cc1OCCc1cccc(CCNC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
SIGMAR1 Q99720 2/20 0.49
FDPS P14324 1/20 0.49
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TRPM5 Q9NZQ8 1/20 0.47
CYP1A2 P05177 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR2 P34972 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL13620651 0.80 MAPT (0.57) SIGMAR1FDPSPDCD1CD274MAPT
SCHEMBL18874317 0.80 FDPS (0.51) SIGMAR1FDPSMAPTSMN1; SMN2ALDH1A1
SCHEMBL6229249 0.80 FDPS (0.63) SIGMAR1FDPSMAPTSMN1; SMN2ALDH1A1
SCHEMBL13620624 0.77 FDPS (0.53) SIGMAR1FDPSPDCD1CD274MAPT
SCHEMBL13178649 0.76 CNR2 (0.60) MTNR1AMTNR1BMAPTSMN1; SMN2ALDH1A1
SCHEMBL9078005 0.75 FDPS (0.72) FDPSMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL31331562 0.75 FDPS (0.72) FDPSMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL11683085 0.75 FDPS (0.68) FDPSMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL13139208 0.75 MTNR1A (0.78) MTNR1AMTNR1BSMN1; SMN2ALDH1A1HPGD
SCHEMBL2224069 0.74 CA12 (0.73) MTNR1AMTNR1BMAPTSMN1; SMN2ALDH1A1

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-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 EP disclosed
WO-2009135590-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-11-12 WO disclosed