SCHEMBL9315876

SCHEMBL9315876

COc1cc(C(=O)F)ccc1Oc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.77
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NTRK1 P04629 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
NTRK2 Q16620 1/20 0.48

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
SCHEMBL3765692 0.87 TTR (1.00) TTRCA12CA1CA2CA4
SCHEMBL29775216 0.86 TTR (0.79) TTRCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL20873295 0.86 TTR (0.97) TTRCA12CA1CA2CA4
SCHEMBL20759528 0.86 TTR (0.79) TTRCA12CA1CA2CA4
SCHEMBL20873293 0.84 TTR (0.77) TTRCA12CA1CA2CA4
SCHEMBL30546226 0.84 TTR (0.77) TTRCA12CA1CA2CA4
SCHEMBL26127264 0.84 TTR (0.77) TTRCA12CA1CA2CA4
SCHEMBL28312391 0.83 TTR (0.75) TTRCA12CA1CA2CA4
SCHEMBL27719322 0.83 TSHR (0.70) CA12CA1CA2CA4CA6
SCHEMBL9316831 0.83 TTR (0.53) TTRCYP1A2CYP2C9CYP2C19NTRK1

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-5326849-A Method for producing an aromatic poly (thio) ether ketone MITSUBISHI KASEI CORPORATION (JP) 1994-07-05 US claimed
US-5326849-A Method for producing an aromatic poly (thio) ether ketone MITSUBISHI KASEI CORPORATION (JP) 1994-07-05 US disclosed