SCHEMBL7914517

SCHEMBL7914517

COc1ccc(C=O)cc1OCCC1Cc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.56
MAPT P10636 10/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 12/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 7/20 0.49
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSP90AA1 P07900 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TTR P02766 1/20 0.46
PDE4B Q07343 1/20 0.45
RXFP1 Q9HBX9 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
SCHEMBL1299518 0.82 HPGD (0.59) FDPSMAPTSMN1; SMN2HTTNPSR1
SCHEMBL5704556 0.81 IDO1 (0.48) MAPTSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL7661907 0.79 FDPS (0.86) FDPSMAPTSMN1; SMN2HTTNPSR1
SCHEMBL498539 0.79 ALDH1A1 (0.60) FDPSMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL5704667 0.78 MAPT (0.54) MAPTSMN1; SMN2HTTNPSR1LMNA
SCHEMBL5974454 0.78 FDPS (0.77) FDPSMAPTSMN1; SMN2HTTNPSR1
SCHEMBL1300120 0.77 FDPS (0.67) FDPSMAPTSMN1; SMN2HTTNPSR1
SCHEMBL30462864 0.77 FDPS (0.71) FDPSMAPTSMN1; SMN2HTTNPSR1
SCHEMBL4409432 0.77 FDPS (0.71) FDPSMAPTSMN1; SMN2HTTNPSR1
SCHEMBL13590011 0.76 FDPS (0.75) FDPSMAPTSMN1; SMN2HTTNPSR1

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
US-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed