SCHEMBL8339196

SCHEMBL8339196

CCCCc1c[nH]c(=O)n1CCC1=CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
KDM4E B2RXH2 4/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 4/20 0.37
ALDH1A1 P00352 11/20 0.37
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 3/20 0.36
HSD17B10 Q99714 5/20 0.35
TSHR P16473 4/20 0.35
CASP1 P29466 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 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
SCHEMBL8302824 0.79 PDE4A (0.38) MAPTKDM4ELMNAALDH1A1MEN1
SCHEMBL8293359 0.77 ADORA2B (0.40) KDM4ETDP1LMNAALDH1A1ALOX15
SCHEMBL7684767 0.72 ALDH1A1 (0.40) MAPTKDM4EATMTDP1LMNA
SCHEMBL316396 0.72
SCHEMBL8340428 0.69 GAA (0.41) KDM4EATMALDH1A1ALOX15HTT
SCHEMBL8676869 0.68 NPSR1 (0.49) MAPTKDM4ETDP1LMNAALDH1A1
SCHEMBL1423814 0.67 ALDH1A1 (0.41) LMNAALDH1A1NPSR1USP2MEN1
SCHEMBL196177 0.67 ALDH1A1 (0.49) ALDH1A1NPSR1USP2MEN1KMT2A
SCHEMBL62015 0.65 ALDH1A1 (0.40) KDM4ELMNAALDH1A1ALOX15HSD17B10
SCHEMBL9269668 0.65 ALDH1A1 (0.40) KDM4ELMNAALDH1A1ALOX15HSD17B10

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-5861420-A ANGIOTENSIN II ANTAGONISTS G. D. SEARLE & CO. (US) 1999-01-19 US disclosed