SCHEMBL11520569

SCHEMBL11520569

COc1ccc2[nH]c(C)c(CCN3CCCC(C)C3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.71
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 5/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
USP2 O75604 1/20 0.54
HIF1A Q16665 1/20 0.54
HTR6 P50406 4/20 0.54
HTR1D P28221 2/20 0.54
HTR1A P08908 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR1E P28566 1/20 0.52
HTR7 P34969 1/20 0.52
HTR5A P47898 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ALOX15 P16050 1/20 0.47

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
Hydrochloric Acid SCHEMBL11522973 0.81 ALDH1A1 (0.56) HSD17B10ALDH1A1KDM4EMAPTTSHR
SCHEMBL11520036 0.81 HTR1D (0.62) HSD17B10ALDH1A1KDM4EMAPTTSHR
SCHEMBL11519362 0.80 ALDH1A1 (0.54) HSD17B10ALDH1A1KDM4EMAPTTSHR
SCHEMBL25969463 0.79 HTR1D (0.64) HSD17B10ALDH1A1KDM4EMAPTTSHR
Hydrochloric Acid SCHEMBL11524195 0.79 ALDH1A1 (0.55) HSD17B10ALDH1A1KDM4EMAPTTSHR
SCHEMBL9090770 0.79 ALDH1A1 (0.61) HSD17B10ALDH1A1KDM4EMAPTTSHR
Hydrochloric Acid SCHEMBL11519881 0.79 ALDH1A1 (0.64) HSD17B10ALDH1A1KDM4EMAPTTSHR
SCHEMBL11520933 0.78 ALDH1A1 (0.61) HSD17B10ALDH1A1KDM4EMAPTTSHR
Hydrochloric Acid SCHEMBL11519688 0.77 ALDH1A1 (0.62) HSD17B10ALDH1A1KDM4EMAPTTSHR
SCHEMBL11519836 0.76 ALDH1A1 (0.55) HSD17B10ALDH1A1KDM4EMAPTTSHR

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
US-4160862-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1979-07-10 US disclosed
US-4021431-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-05-03 US disclosed