SCHEMBL22817138

SCHEMBL22817138

CCC1CCCN(c2cccc(C3=CCC4(CC3)OCCO4)c2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.33
USP2 O75604 6/20 0.33
CYP1A2 P05177 6/20 0.33
CYP2D6 P10635 5/20 0.33
HSD17B10 Q99714 5/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2C9 P11712 4/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2C19 P33261 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BPTF Q12830 1/20 0.31
RECQL P46063 1/20 0.31
HPGD P15428 1/20 0.31
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL23484653 0.82 USP2 (0.38) SUV39H2USP2CYP1A2CYP2D6HSD17B10
SCHEMBL22817132 0.76 EBP (0.39) BPTF
SCHEMBL15945568 0.70 LMNA (0.41) SUV39H2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL612703 0.70 LGMN (0.37) SUV39H2USP2CYP1A2CYP2D6HSD17B10
SCHEMBL28984332 0.68 DRD2 (0.51) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL10177533 0.68 DPP4 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL13036989 0.68 DPP4 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL12208682 0.67 IKBKE (0.41) SUV39H2CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL20010985 0.67 HTR2C (0.47) SUV39H2TSHRIKBKETBK1
SCHEMBL731260 0.67 ALDH1A1 (0.41) SUV39H2USP2HSD17B10ALDH1A1TSHR

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
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed