SCHEMBL11524271

SCHEMBL11524271

Cc1cc(C)c2c(n1)C(C(=O)O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 0.43
UHRF1 Q96T88 1/20 0.38
CHRM4 P08173 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 4/20 0.38
USP2 O75604 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
UGT2B17 O75795 2/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 3/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11465928 0.80 UHRF1 (0.37) SIRT1UHRF1CHRM4CYP1A2HSD17B10
SCHEMBL527248 0.77 UGT2B17 (0.50) UHRF1CHRM4CYP1A2HSD17B10KDM4E
SCHEMBL11465929 0.77 ALDH1A1 (0.36) SIRT1UHRF1CHRM4CYP1A2HSD17B10
SCHEMBL11522230 0.75 SIRT1 (0.40) SIRT1HSD17B10KDM4EUSP2HPGD
SCHEMBL10841326 0.74 SIRT1 (0.39) SIRT1HSD17B10KDM4EUSP2HPGD
SCHEMBL10286333 0.72 UGT2B17 (0.45) UHRF1CHRM4CYP1A2HSD17B10KDM4E
SCHEMBL11520291 0.70 ALDH1A1 (0.39) CHRM4KDM4EHPGDALDH1A1MEN1
SCHEMBL11522468 0.70 SIRT1 (0.36) SIRT1
SCHEMBL10286046 0.70 ACHE (0.42) CYP1A2HSD17B10KDM4EUSP2HPGD
SCHEMBL11730878 0.70 EEF2K (0.39) SIRT1CYP1A2HSD17B10KDM4EUSP2

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
US-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 US disclosed