SCHEMBL6141391

SCHEMBL6141391

O=[C]C1(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KIF11 P52732 1/20 0.38
KMT2A Q03164 1/20 0.38
MIF P14174 1/20 0.38
HSD11B1 P28845 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAOB P27338 1/20 0.36
SRD5A2 P31213 1/20 0.36
PYCR1 P32322 1/20 0.36
OPRL1 P41146 1/20 0.35

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
SCHEMBL22719281 0.72 TACR1 (0.44) POLBGAAKIF11HSD11B1
SCHEMBL29587966 0.72 POLB (0.46) POLBGAATAAR1IDO1KDM4E
SCHEMBL1825520 0.72 MAOB (0.55) POLBGAATAAR1IDO1KDM4E
Hydrochloric Acid SCHEMBL22719392 0.71 TACR1 (0.43) POLBGAAIDO1KIF11HSD11B1
SCHEMBL3246600 0.69 TAAR1 (0.54) TAAR1IDO1KDM4EALDH1A1KIF11
SCHEMBL6140769 0.68 MAOA (0.44) ALDH1A1KIF11HSD11B1SLC6A3MAOB
SCHEMBL2094884 0.68 IDO1 (0.57) TAAR1IDO1KIF11KMT2AMIF
SCHEMBL5534706 0.66 SLC6A3 (0.45) POLBGAATAAR1IDO1KDM4E
SCHEMBL2702138 0.66 TAAR1 (0.55) TAAR1IDO1KIF11KMT2AMIF
SCHEMBL26081038 0.66 TACR1 (0.47) POLBGAAOPRL1

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