SCHEMBL29217459

SCHEMBL29217459

Cc1c(O)ccc(CCBr)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.43
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
NR3C1 P04150 2/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
SHBG P04278 1/20 0.33
PRKCI P41743 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
AMY1A P0DUB6 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
SCHEMBL8902163 0.81 TRPA1 (0.46) MEN1KMT2AMAPTTRPA1ATM
SCHEMBL21439892 0.80 TYR (0.53) TYRMEN1KMT2AMAPTNR3C1
SCHEMBL2455120 0.78 TAAR1 (0.48) TYRMEN1KMT2AMAPT
SCHEMBL5886405 0.77 TYR (0.65) TYRMEN1KMT2AMAPTPRKCI
SCHEMBL4063406 0.77 TYR (0.44) TYRMEN1KMT2AMAPTNR3C1
SCHEMBL29217458 0.76 TYR (0.36) TYRMEN1KMT2AMAPTNR3C1
SCHEMBL5488523 0.75 TYR (0.73) TYRMEN1KMT2AMAPTSHBG
SCHEMBL12305679 0.75 MAPT (0.48) TYRMEN1KMT2AMAPTNR3C1
SCHEMBL4888228 0.75 TYR (0.47) TYRNR3C1PGRNR3C2TRPA1
SCHEMBL30597484 0.75 TYR (0.47) TYRNR3C1PGRNR3C2TRPA1

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-117800818-A Diester ring hydrogenated bisphenol antioxidant and preparation method and application thereof 本源精化环保科技有限公司 2024-04-02 CN disclosed