SCHEMBL24474343

SCHEMBL24474343

OCCc1cccc(F)c1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.36
MPO P05164 4/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
LIPG Q9Y5X9 1/20 0.31
AOC3 Q16853 1/20 0.31
FFAR1 O14842 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
IDO1 P14902 1/20 0.31
DAO P14920 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL16687397 0.84 IDO1 (0.36) TAAR1MPOSLC6A4GPR84FFAR1
SCHEMBL29953243 0.84 IDO1 (0.36) TAAR1MPOSLC6A4GPR84FFAR1
SCHEMBL9938608 0.78 TAAR1 (0.42) TAAR1MPOHTR2ASLC6A4IDO1
SCHEMBL146988 0.76 CES2 (0.42) CES2CES1
SCHEMBL2339012 0.75 TAAR1 (0.41) TAAR1MPOTDP1AOC3IDO1
SCHEMBL29471378 0.75 TAAR1 (0.41) TAAR1MPOTDP1AOC3IDO1
SCHEMBL625220 0.74 TAAR1 (0.62) TAAR1MPOSLC6A4TDP1AOC3
SCHEMBL29796478 0.74 TAAR1 (0.62) TAAR1MPOSLC6A4TDP1AOC3
SCHEMBL23685407 0.74 GABRA1 (0.46) LMNA
SCHEMBL28521385 0.74 LIPG (0.33) TAAR1MPOTDP1GPR84LIPG

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-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO disclosed