SCHEMBL9045807

SCHEMBL9045807

CC(C)C[CH]c1ccccc1CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL4073321 0.86 GABRA1 (0.47) GABRA1GABRB2CTSSCTSK
SCHEMBL5833284 0.84 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL8120563 0.81 GABRA1 (0.50) GABRA1GABRB2CTSSCTSK
SCHEMBL10556870 0.81 GABRA1 (0.50) GABRA1GABRB2CTSSCTSK
SCHEMBL10556877 0.81 GABRA1 (0.50) GABRA1GABRB2CTSSCTSK
SCHEMBL8124003 0.81 GABRA1 (0.42) GABRA1GABRB2
SCHEMBL2921819 0.79 GABRA1 (0.48) GABRA1GABRB2CTSSCTSK
SCHEMBL8113452 0.78 GABRA1 (0.40) GABRA1GABRB2
SCHEMBL548215 0.78 KMT2A (0.48) GABRA1GABRB2CTSSCTSK
SCHEMBL30641415 0.78 GABRA1 (0.47) GABRA1GABRB2CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717742-A1 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-26 EP disclosed
WO-1995007279-A2 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 WO disclosed