SCHEMBL13620624

SCHEMBL13620624

COc1ccc(C=O)cc1OCCc1cccc(SC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
MAPT P10636 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 9/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 7/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP2C9 P11712 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSP90AA1 P07900 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 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
SCHEMBL13620651 0.84 MAPT (0.57) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL6229249 0.83 FDPS (0.63) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL18874317 0.79 FDPS (0.51) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL9078005 0.78 FDPS (0.72) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL31331562 0.78 FDPS (0.72) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL13620606 0.77 MTNR1A (0.49) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL7661907 0.77 FDPS (0.86) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL6582635 0.77 FDPS (0.61) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL8890887 0.77 FDPS (0.55) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL7545268 0.76 MAPT (0.60) FDPSMAPTSMN1; SMN2NPSR1LMNA

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