SCHEMBL23903006

SCHEMBL23903006

CC(C)Cc1cc(C(C)C)ccc1N(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
LMNA P02545 1/20 0.34
RNASEH1 O60930 1/20 0.34
CRHR1 P34998 3/20 0.33
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL28919503 0.79 ALDH1A1 (0.36) GABRA1GABRB2ALDH1A1
SCHEMBL14200344 0.76 LMNA (0.41) HTR1DHTR1BLMNARNASEH1CRHR1
SCHEMBL5165456 0.73 GABRA1 (0.63) GABRA1GABRB2LMNARNASEH1TRPA1
SCHEMBL23903284 0.73 ALOX12 (0.37) GABRA1GABRB2LMNARNASEH1TRPA1
SCHEMBL765890 0.73 GABRA1 (0.41) HTR1DGABRA1GABRB2LMNARNASEH1
SCHEMBL12248233 0.72 LMNA (0.39) HTR1DHTR1BGABRA1GABRB2LMNA
SCHEMBL13233313 0.72 GABRA1 (0.48) GABRA1GABRB2LMNAALDH1A1GAA
SCHEMBL14328458 0.72 LMNA (0.48) LMNARNASEH1CRHR1TRPA1PTGS1
SCHEMBL15702013 0.72 LMNA (0.35) HTR1DHTR1BGABRA1GABRB2LMNA
SCHEMBL11810508 0.72 LMNA (0.35) HTR1DHTR1BGABRA1GABRB2LMNA

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-2021203016-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-07 WO disclosed