SCHEMBL9035381

SCHEMBL9035381

COCCOCOc1ccc(C=CC=O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.60
MTNR1A P48039 1/20 0.60
XDH P47989 1/20 0.52
FDPS P14324 6/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
APP P05067 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 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
SCHEMBL9035379 1.00 TRPA1 (0.60) TRPA1MTNR1AXDHFDPSALDH1A1
SCHEMBL22470699 0.89 TRPA1 (0.65) TRPA1MTNR1AXDHFDPSALDH1A1
SCHEMBL22470700 0.89 TRPA1 (0.65) TRPA1MTNR1AXDHFDPSALDH1A1
SCHEMBL9329884 0.88 TRPA1 (0.67) TRPA1MTNR1AXDHFDPSALDH1A1
SCHEMBL4996441 0.86 FDPS (0.69) FDPSALDH1A1MAPTHPGDLMNA
SCHEMBL9346642 0.84 KDM4E (0.58) MTNR1AFDPSALDH1A1MAPTHPGD
SCHEMBL9672141 0.82 KDM4E (0.69) MTNR1AFDPSALDH1A1MAPTHPGD
SCHEMBL9672146 0.82 KDM4E (0.69) MTNR1AFDPSALDH1A1MAPTHPGD
SCHEMBL5804318 0.81 KDM4E (0.67) TRPA1MTNR1AXDHFDPSALDH1A1
SCHEMBL9350391 0.81 FDPS (0.65) FDPSALDH1A1MAPTLMNAKDM4E

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-0748317-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-12-18 EP disclosed
WO-1996020936-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-07-11 WO disclosed