SCHEMBL6962298

SCHEMBL6962298

[CH2]COC(=O)Sc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
ACHE P22303 1/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 7/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 1/20 0.34
MAPK1 P28482 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL6967904 0.85 ACHE (0.42) FFAR1ACHEHPGDHSD17B10MAPT
SCHEMBL6962141 0.82 TDP1 (0.42) FFAR1ACHEHSD17B10MAPTSMN1; SMN2
SCHEMBL6971149 0.80 TDP1 (0.44) FFAR1ACHEHSD17B10MAPTALDH1A1
SCHEMBL15282308 0.80 ALDH1A1 (0.50) ACHEHPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL6971913 0.79 TDP1 (0.43) ACHEHSD17B10MAPTALDH1A1TSHR
SCHEMBL26066765 0.78 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TSHRTDP1NPC1
SCHEMBL14031523 0.78 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TSHRTDP1NPC1
SCHEMBL6968617 0.77 HPGD (0.42) FFAR1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL6966718 0.77 NPC1 (0.37) FFAR1ACHEMAPTSMN1; SMN2ALDH1A1
SCHEMBL6683261 0.76 HPGD (0.46) FFAR1HPGDHSD17B10MAPTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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