SCHEMBL7700727

SCHEMBL7700727

O=[C]c1cc(F)c(F)cc1[C]=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
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
SCHEMBL6152629 0.81 POLB (0.33)
SCHEMBL8098700 0.78
SCHEMBL2138209 0.77 CES2 (0.33) CES2CES1
SCHEMBL8672708 0.73 ALDH1A1 (0.34)
SCHEMBL9418206 0.73 KHK (0.31)
SCHEMBL8676375 0.73 KDM1A (0.35) TRPV4
SCHEMBL10538164 0.72
SCHEMBL8116818 0.72 CES2 (0.30) CES2CES1
SCHEMBL8119940 0.72 HDAC1 (0.32)
SCHEMBL10646394 0.72 CES2 (0.30) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355615-B1 CYCLIC POLYAMIDEESTER COPOLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US claimed
EP-0986549-A1 DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES Bayer Aktiengesellschaft (DE) 2000-03-22 EP claimed
WO-1998055469-A1 DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 1998-12-10 WO claimed
US-6355615-B1 CYCLIC POLYAMIDEESTER COPOLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
EP-0986549-A1 DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES Bayer Aktiengesellschaft (DE) 2000-03-22 EP disclosed
WO-1998055469-A1 DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 1998-12-10 WO disclosed