SCHEMBL6971991

SCHEMBL6971991

[CH2]OC(=O)c1ccoc1CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6969828 0.80 TP53 (0.36) TP53ALDH1A1MAPTHSD17B10TSHR
SCHEMBL6971332 0.68 SCD (0.33) TSHRHPGDSMN1; SMN2
SCHEMBL14946484 0.67 TP53 (0.41) TP53ALDH1A1MAPTHSD17B10TSHR
SCHEMBL13825394 0.66 HSD17B10 (0.48) TP53ALDH1A1MAPTHSD17B10TSHR
SCHEMBL2096104 0.65 ALDH1A1 (0.50) TP53ALDH1A1MAPTHSD17B10TSHR
SCHEMBL2109561 0.65 HSD17B10 (0.44) TP53ALDH1A1MAPTHSD17B10TSHR
SCHEMBL8635719 0.65 ALDH1A1 (0.53) TP53ALDH1A1MAPTHSD17B10TSHR
SCHEMBL3823759 0.65 HSD17B10 (0.44) TP53ALDH1A1MAPTHSD17B10TSHR
SCHEMBL1272050 0.64 HSD17B10 (0.41) TP53ALDH1A1MAPTHSD17B10TSHR
SCHEMBL6965560 0.63

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