SCHEMBL8065801

SCHEMBL8065801

O=[C]COc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PKM P14618 1/20 0.34
DAO P14920 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
SCHEMBL98327 0.81 ADRA1D (0.40) ADRA1D
SCHEMBL12749278 0.81 MAOB (0.41)
SCHEMBL3066192 0.81 ALOX5AP (0.46) CA3CA6CA5ACA9CA14
SCHEMBL514459 0.80 L3MBTL1 (0.47) DAO
SCHEMBL5541035 0.74 MRGPRX4 (0.47) PTGDR2
SCHEMBL1547698 0.74 CA3 (0.38) ADRA1DCES2CES1CA3CA6
SCHEMBL1539296 0.74 L3MBTL1 (0.53)
SCHEMBL2555360 0.73 CTSS (0.53) ADRA1DCES2CES1
SCHEMBL5534923 0.73 SLC6A2 (0.40) CES2CES1DAO
SCHEMBL3070242 0.72 KDM4E (0.54) ADRA1D

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
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed