SCHEMBL9340707

SCHEMBL9340707

CCOCCOc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NCF1 P14598 2/20 0.41
HSP90AB1 P08238 1/20 0.41
KDM1A O60341 2/20 0.40
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.39
TRPA1 O75762 2/20 0.38

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
SCHEMBL5961831 0.83 HTR2C (0.50) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7934151 0.83 ALDH1A1 (0.45) L3MBTL1ALDH1A1POLBHPGDNCF1
SCHEMBL1547577 0.83 L3MBTL1 (0.53) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7922045 0.82 L3MBTL1 (0.40) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL878692 0.81 FAAH (0.53) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL14402360 0.81 HPGD (0.47) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL2556120 0.80 L3MBTL1 (0.41) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL6898105 0.80 L3MBTL1 (0.66) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL12668117 0.79 FFAR1 (0.43) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL27724471 0.79 LMNA (0.43) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401167-B1 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA GEIGY AG (CH) 1994-06-08 EP disclosed
US-5075467-A Reacting organotitanium halide with lithium amide CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
EP-0401167-A2 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed