SCHEMBL4530537

SCHEMBL4530537

CC(C)(c1ccc(C2CCCCC2)cc1)c1nnc2n1CCCCCC2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.41
POLB P06746 2/20 0.40
HSD11B1 P28845 8/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
HSD17B1 P14061 1/20 0.36
HSD11B2 P80365 3/20 0.36

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
SCHEMBL4539384 0.83 HPGD (0.54) HPGDPOLBHSD11B1ALDH1A1HTT
SCHEMBL4534788 0.82 HPGD (0.57) HPGDPOLBHSD11B1HTTHSD11B2
SCHEMBL4538193 0.73 HPGD (0.55) HPGDPOLBHSD11B1ALDH1A1HTT
SCHEMBL4540367 0.72 HSD11B1 (0.50) HPGDPOLBHSD11B1ALDH1A1HTT
SCHEMBL14030255 0.71 POLB (0.58) HPGDPOLBHSD11B1ALDH1A1HTT
SCHEMBL14030375 0.71 POLB (0.58) HPGDPOLBHSD11B1ALDH1A1HTT
SCHEMBL4539612 0.71 POLB (0.48) HPGDPOLBHSD11B1ALDH1A1HTT
SCHEMBL14030286 0.70 POLB (0.55) HPGDPOLBHSD11B1ALDH1A1HTT
SCHEMBL4540694 0.68 HPGD (0.57) HPGDPOLBHSD11B1ALDH1A1HTT
SCHEMBL4536746 0.68 POLB (0.50) HPGDPOLBHSD11B1ALDH1A1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009073460-A2 INHIBITION OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 FOR OCULAR NEUROPROTECTION BAUSCH & LOMB INCORPORATED (US) 2009-06-11 WO disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed