SCHEMBL11401213

SCHEMBL11401213

Cc1ccc(F)cc1S.Fc1ccc(S)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA3 P07451 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31

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
SCHEMBL458188 0.84 — —
SCHEMBL31576825 0.77 CES2 (0.40) CES2CES1
SCHEMBL946276 0.77 CES2 (0.40) CES2CES1
SCHEMBL5133353 0.77 CES2 (0.40) CES2CES1
Hydrochloric Acid SCHEMBL5501564 0.75 CES2 (0.39) CES2CES1
SCHEMBL13044910 0.73 PSMD14 (0.34) —
SCHEMBL8406227 0.71 — —
SCHEMBL425322 0.70 — —
SCHEMBL30696168 0.70 — —
SCHEMBL6519928 0.68 CA3 (0.46) CA3CA6CA5ACA9CA14

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-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 — — US disclosed
Send feedback