SCHEMBL6972085

SCHEMBL6972085

C[C](C)O[SiH2]c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CA4 P22748 1/20 0.31
ALOX15 P16050 2/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
TAS2R38 P59533 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10693762 0.81 HPGD (0.32) ALDH1A1HPGD
SCHEMBL49492 0.81 ALDH1A1 (0.42) ALDH1A1CES2CES1HPGDLMNA
SCHEMBL3676524 0.75 DAO (0.31) TSHRNAPRT
SCHEMBL29026463 0.72 ELANE (0.43) ALDH1A1CES2CES1LMNAL3MBTL1
SCHEMBL1053847 0.72 ELANE (0.43) ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL50084 0.70
SCHEMBL5008757 0.70 TSHR (0.31) ALDH1A1CA4ALOX15TSHRNAPRT
SCHEMBL11113803 0.70
SCHEMBL28867306 0.70 LMNA (0.54) ALDH1A1CES2CES1LMNAMAPK1
SCHEMBL3679065 0.69 TSHR (0.37) ALDH1A1CA4HPGDLMNAMAPK1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed