SCHEMBL14605809

SCHEMBL14605809

O=C(CCc1nnnn1C1CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 13/20 1.00
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14605983 0.81 HSD11B1 (1.00) HSD11B1
SCHEMBL5592641 0.74 HSD11B1 (0.60) HSD11B1HDAC1HDAC6ALDH1A1TSHR
SCHEMBL14605771 0.73 HSD11B1 (0.57) HSD11B1ALDH1A1TSHR
SCHEMBL2591554 0.73 HSD11B1 (0.57) HSD11B1HDAC1HDAC6ALDH1A1TSHR
SCHEMBL14605982 0.71 HSD11B1 (0.70) HSD11B1ALDH1A1
SCHEMBL14605742 0.71 HSD11B1 (0.70) HSD11B1ALDH1A1TSHR
SCHEMBL9209430 0.71 HSD11B1 (0.54) HSD11B1HDAC1HDAC6ALDH1A1TSHR
SCHEMBL9209424 0.71 HSD11B1 (0.54) HSD11B1HDAC1HDAC6ALDH1A1TSHR
SCHEMBL10675890 0.70 HSD11B1 (0.54) HSD11B1HDAC1HDAC6ALDH1A1TSHR
SCHEMBL12576848 0.69 HSD11B1 (0.67) HSD11B1

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
WO-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 — — WO disclosed
Send feedback