SCHEMBL19997481

SCHEMBL19997481

C1CCNCC(C2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CCR5 P51681 1/20 0.35
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2C P28335 1/20 0.34
APLNR P35414 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NOS2 P35228 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
SCHEMBL20997656 1.00 ALDH1A1 (0.44) ALDH1A1CCR5SLC6A1SLC6A11TSHR
SCHEMBL8693935 1.00 ALDH1A1 (0.44) ALDH1A1CCR5SLC6A1SLC6A11TSHR
SCHEMBL1071412 1.00 ALDH1A1 (0.44) ALDH1A1CCR5SLC6A1SLC6A11TSHR
SCHEMBL9485862 1.00 ALDH1A1 (0.44) ALDH1A1CCR5SLC6A1SLC6A11TSHR
Hydrochloric Acid SCHEMBL27909291 0.97 ALDH1A1 (0.42) ALDH1A1CCR5SLC6A1SLC6A11TSHR
SCHEMBL16878225 0.94 ALDH1A1 (0.44) ALDH1A1CCR5SLC6A1SLC6A11TSHR
SCHEMBL24968081 0.94 ALDH1A1 (0.44) ALDH1A1CCR5SLC6A1SLC6A11TSHR
SCHEMBL31574626 0.94 ALDH1A1 (0.44) ALDH1A1CCR5SLC6A1SLC6A11TSHR
SCHEMBL21425265 0.94 ALDH1A1 (0.44) ALDH1A1CCR5SLC6A1SLC6A11TSHR
SCHEMBL19608457 0.94 ALDH1A1 (0.44) ALDH1A1CCR5SLC6A1SLC6A11TSHR

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-9926641-B2 Method of manufacturing metal sheet having alloy plated layer TOYO KOHAN CO., LTD (JP) 2018-03-27 US disclosed