SCHEMBL28256753

SCHEMBL28256753

CC(C)C(CC[O])c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
PKM P14618 1/20 0.45
KCNA3 P22001 1/20 0.40
AOC3 Q16853 1/20 0.39
RIPK1 Q13546 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PDPK1 O15530 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
SMPD1 P17405 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL7511093 0.80 TAAR1 (0.59) TAAR1PKMAOC3RIPK1SLC6A2
SCHEMBL7511084 0.80 TAAR1 (0.59) TAAR1PKMAOC3RIPK1SLC6A2
SCHEMBL26269478 0.79 TAAR1 (0.53) TAAR1PKMKCNA3MEN1KMT2A
SCHEMBL9055834 0.78 TAAR1 (0.69) TAAR1PKMAOC3RIPK1SLC6A2
SCHEMBL12073186 0.78 TAAR1 (0.57) TAAR1PKMKCNA3SLC6A2SLC6A4
SCHEMBL5661323 0.78 TAAR1 (0.57) TAAR1PKMAOC3RIPK1SLC6A2
SCHEMBL17363629 0.78 TAAR1 (0.57) TAAR1PKMKCNA3SLC6A2SLC6A4
SCHEMBL5232999 0.78 TAAR1 (0.57) TAAR1PKMKCNA3SLC6A2SLC6A4
SCHEMBL1984107 0.78 TAAR1 (0.52) TAAR1PKMKCNA3AOC3RIPK1
SCHEMBL26269490 0.78 TAAR1 (0.52) TAAR1PKMKCNA3SLC6A2SLC6A4

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-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed