SCHEMBL27639619

SCHEMBL27639619

CC(C)(C)c1cc([C]=O)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.31

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
SCHEMBL287392 0.79 HPGD (0.41) HPGDTSHR
SCHEMBL2513817 0.71 — —
SCHEMBL27970887 0.71 HPGD (0.38) HPGDTSHR
SCHEMBL15821070 0.69 HPGD (0.43) HPGDTSHRLMNA
SCHEMBL1205789 0.69 HPGD (0.46) HPGDTSHRLMNA
SCHEMBL179497 0.69 HPGD (0.50) HPGDTSHRLMNA
SCHEMBL2827757 0.68 HPGD (0.46) HPGDTSHRLMNA
SCHEMBL28861464 0.67 — —
SCHEMBL16920575 0.67 HPGD (0.44) HPGDTSHRLMNA
SCHEMBL21719751 0.67 HPGD (0.44) HPGDTSHRLMNA

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
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 — — CN disclosed
Send feedback