SCHEMBL6140754

SCHEMBL6140754

CC[CH]Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
IDO1 P14902 4/20 0.44
MAOB P27338 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PYCR1 P32322 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KIF11 P52732 1/20 0.38
KMT2A Q03164 1/20 0.38
MIF P14174 1/20 0.38
MAPT P10636 1/20 0.38
DAO P14920 1/20 0.37

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
SCHEMBL27480537 0.84 TAAR1 (0.42) TAAR1IDO1MAOBALDH1A1PYCR1
SCHEMBL28488882 0.81 TSHR (0.44) BCHEACHE
SCHEMBL27426632 0.80 TAAR1 (0.52) TAAR1IDO1MAOBALDH1A1MIF
SCHEMBL3168435 0.78 TAAR1 (0.48) TAAR1IDO1MAOBALDH1A1PYCR1
SCHEMBL8403636 0.77 HTR2A (0.53) TAAR1IDO1MAOBALDH1A1KDM4E
SCHEMBL624798 0.76 TAAR1 (0.50) TAAR1IDO1MAOBALDH1A1BCHE
SCHEMBL27269869 0.76 TRPA1 (0.48) TAAR1IDO1ALDH1A1
SCHEMBL24258373 0.75 IDO1 (0.53) TAAR1IDO1MAOBALDH1A1PYCR1
SCHEMBL28348088 0.75 IDO1 (0.53) TAAR1IDO1MAOBALDH1A1PYCR1
SCHEMBL91061 0.75 TAAR1 (0.54) TAAR1IDO1MAOBALDH1A1PYCR1

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
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed