SCHEMBL6972010

SCHEMBL6972010

[O]C(=O)Sc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
HPGD P15428 5/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 6/20 0.41
CXCL12 P48061 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PLIN1 O60240 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39

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
SCHEMBL1672797 0.80 FFAR1 (0.48) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL2509039 0.80 FFAR1 (0.48) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL3087191 0.80 FFAR1 (0.48) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL11847778 0.78 FFAR1 (0.46) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
Diphenylsulfane SCHEMBL6843735 0.77 HPGD (0.62) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
Diphenylsulfane SCHEMBL7024955 0.77 HPGD (0.62) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
Diphenylsulfane SCHEMBL19056221 0.77 HPGD (0.62) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL11205280 0.76 CA12 (0.46) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL17322710 0.76 FFAR1 (0.44) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL3038672 0.76 SIRT1 (0.47) FFAR1HPGDMAPTHSD17B10SMN1; 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 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