SCHEMBL9593292

SCHEMBL9593292

[CH2]/C=C/Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.42
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.37
AOC3 Q16853 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 3/20 0.35
CYP2A13 Q16696 1/20 0.35
MEN1 O00255 1/20 0.35
NFE2L2 Q16236 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL575057 0.79 TAAR1 (0.50) TAAR1IDO1LMNAALDH1A1AOC3
SCHEMBL28743508 0.78 TAAR1 (0.50) TAAR1IDO1LMNAALDH1A1AOC3
SCHEMBL29140373 0.78 TAAR1 (0.50) TAAR1IDO1LMNAALDH1A1AOC3
SCHEMBL12954591 0.78 TAAR1 (0.56) TAAR1IDO1LMNAALDH1A1AOC3
SCHEMBL11456607 0.78 TAAR1 (0.56) TAAR1IDO1LMNAALDH1A1AOC3
SCHEMBL248425 0.77 TAAR1 (0.48) TAAR1IDO1LMNAALDH1A1AOC3
SCHEMBL13388148 0.76 TAAR1 (0.46) TAAR1IDO1LMNAALDH1A1AOC3
SCHEMBL28839595 0.75 NFE2L2 (0.58) TAAR1IDO1L3MBTL1NFE2L2
SCHEMBL15106929 0.75 PTGER4 (0.51) TAAR1IDO1ALDH1A1KMT2AMEN1
SCHEMBL12473708 0.75 TAAR1 (0.50) TAAR1IDO1LMNAALDH1A1AOC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5201935-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5034047-A Oxime derivatives of cyclohexenone substituted with nitrogen containing heterocycles BASF AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed