SCHEMBL2320997

SCHEMBL2320997

CC1[CH]CC2CCCCCCCCCCCC1C2(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL1588075 0.74 TSHR (0.34) ALDH1A1
SCHEMBL847951 0.74 TSHR (0.34) ALDH1A1
SCHEMBL9817562 0.74 TSHR (0.34) ALDH1A1
SCHEMBL847288 0.74 TSHR (0.34) ALDH1A1
SCHEMBL15666424 0.63 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18430746 0.61
SCHEMBL6433750 0.60 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5401853 0.60 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1870221 0.60
SCHEMBL2990882 0.58

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
EP-1928840-B1 1H-Pyrazole-4-carboxamides, their preparation and their use as 11-beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN LA ROCHE (CH) 2011-08-10 EP claimed