SCHEMBL11248009

SCHEMBL11248009

CCOC(=O)CC1(c2cccc(OC)c2)CCCC1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.43
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ADAM17 P78536 1/20 0.40
OPRM1 P35372 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL11487162 0.97 SLC22A1 (0.47) SLC22A1SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL11491769 0.88 SLC22A1 (0.46) SLC22A1SLC6A4SLC6A2ALDH1A1MEN1
SCHEMBL11250668 0.87 GAA (0.44) SLC22A1SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL11081655 0.83 SLC6A4 (0.48) SLC22A1SLC6A4SLC6A2MEN1KMT2A
SCHEMBL11550699 0.79 SLC22A1 (0.43) SLC22A1SLC6A4SLC6A2ALDH1A1MEN1
SCHEMBL11087571 0.78 SLC22A1 (0.43) SLC22A1SLC6A4SLC6A2ALDH1A1MEN1
SCHEMBL11254574 0.78 ALDH1A1 (0.46) SLC22A1SLC6A4SLC6A2ALDH1A1MEN1
SCHEMBL11651256 0.75 SLC22A1 (0.50) SLC22A1SLC6A4SLC6A2ALDH1A1MEN1
SCHEMBL11651250 0.75 SLC22A1 (0.50) SLC22A1SLC6A4SLC6A2ALDH1A1MEN1
SCHEMBL11492175 0.75 SLC22A1 (0.50) SLC22A1SLC6A4SLC6A2ALDH1A1MEN1

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-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed