SCHEMBL6968617

SCHEMBL6968617

[CH2]OC(=O)Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
MAPT P10636 5/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MGLL Q99685 1/20 0.42
FFAR1 O14842 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 2/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
CDK9 P50750 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
F2 P00734 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PLIN1 O60240 1/20 0.34
HTT P42858 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
SCHEMBL6683261 0.81 HPGD (0.46) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL10144329 0.77 TSHR (0.46) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL12319725 0.77 HPGD (0.42) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL6832557 0.77 HPGD (0.42) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL6962298 0.77 FFAR1 (0.41) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL285027 0.77 NPC1 (0.39) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL2778717 0.76 TDP1 (0.48) HPGDMAPTHSD17B10SMN1; SMN2MGLL
Fluoride SCHEMBL27784131 0.76 TSHR (0.45) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL7078392 0.74 HPGD (0.39) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL6967904 0.74 ACHE (0.42) HPGDMAPTHSD17B10SMN1; SMN2MGLL

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