SCHEMBL6960896

SCHEMBL6960896

[CH2]OC(=O)c1c(C)[nH]c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13780967 0.80 HPGD (0.46) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL13488596 0.80 NPSR1 (0.66) HPGDNPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15803898 0.77 NPSR1 (0.47) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL11652842 0.77 HPGD (0.72) HPGDALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL8145766 0.72 CYP1A2 (0.67) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL11584471 0.72 ALDH1A1 (0.52) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6968502 0.72 CYP1A2 (0.43) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL15806516 0.71 HPGD (0.54) HPGDALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL21916084 0.67 BRD4 (0.55) NPSR1CYP1A2MAPTKDM4ECYP3A4
SCHEMBL22548001 0.66 RAB9A (0.72) NPSR1ALDH1A1MAPK1SMN1; SMN2MAPT

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