SCHEMBL29249256

SCHEMBL29249256

CC(C)Cc1cccc(CC(C)C)c1[CH]c1c(CC(C)C)cccc1CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.58
GABRB2 P47870 4/20 0.58
SLC6A2 P23975 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GAA P10253 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
SCHEMBL677322 0.84 GABRA1 (0.56) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL954574 0.82 GABRA1 (0.54) GABRA1GABRB2TAAR1ELANECTSG
SCHEMBL952740 0.77 GABRA1 (0.53) GABRA1GABRB2ELANECTSG
SCHEMBL953300 0.77 GABRA1 (0.48) GABRA1GABRB2ELANECTSGGABRG2
SCHEMBL840750 0.76 GABRA1 (0.64) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL23527437 0.75 GABRA1 (0.62) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL2743774 0.75 GABRA1 (0.62) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL22781148 0.75 GABRA1 (0.62) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL8120563 0.74 GABRA1 (0.50) GABRA1GABRB2SLC6A2TAAR1MAOA
SCHEMBL321351 0.74 ALDH1A1 (0.55) GABRA1GABRB2SLC6A2SLC6A4SLC6A3

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-118176220-A Catalyst for olefin polymerization and process for producing olefin polymer 国立大学法人东京大学 2024-06-11 CN disclosed