SCHEMBL24242005

SCHEMBL24242005

C=C(CCC)CCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
AOC3 Q16853 2/20 0.43
AOC2 O75106 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
KMT2A Q03164 3/20 0.42
FFAR1 O14842 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40

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
SCHEMBL16795674 0.82 MAOB (0.47) HPGDAOC3AOC2MAOAMAOB
SCHEMBL24241999 0.81 POLB (0.45) TAAR1KMT2AFFAR1
SCHEMBL24242009 0.81 PLAAT3 (0.47) HPGDAOC3TAAR1FFAR1ALDH1A1
SCHEMBL12327373 0.78 AOC3 (0.47) HPGDAOC3AOC2MAOAMAOB
SCHEMBL6957846 0.77 HPGD (0.60) HPGDKMT2AFFAR1ALDH1A1GAA
SCHEMBL22797047 0.75 THRB (0.44) KMT2AMEN1
Butyric Acid SCHEMBL30807147 0.74 FFAR1 (0.65) HPGDFFAR1ALDH1A1HTT
SCHEMBL17068942 0.74 TAAR1 (0.56) HPGDAOC3MAOBTAAR1KMT2A
SCHEMBL371244 0.74 TAAR1 (0.56) HPGDAOC3MAOBTAAR1KMT2A
SCHEMBL13349456 0.74 TAAR1 (0.52) AOC3AOC2MAOAMAOBTAAR1

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
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed