SCHEMBL12440323

SCHEMBL12440323

O=CC1=Cc2c(F)cc(C#Cc3ccc(C(F)(F)F)cc3)cc2OC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
P2RY6 Q15077 1/20 0.34
P2RY14 Q15391 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
SCHEMBL2321385 0.87 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL10088485 0.86 GRM5 (0.32)
SCHEMBL2330276 0.82 PTGS1 (0.44) PTGS1PTGS2P2RY6P2RY14
SCHEMBL10088927 0.82 KIF11 (0.39) PTGS1PTGS2
SCHEMBL2327128 0.80 ACACB (0.37)
SCHEMBL10088499 0.80 NR3C2 (0.30)
SCHEMBL10088942 0.75 PDE3B (0.38) PTGS1PTGS2
SCHEMBL12440147 0.72 PTPN1 (0.40) PTGS1PTGS2P2RY6
SCHEMBL10089047 0.72 MAOA (0.36)
SCHEMBL10088904 0.70 SRD5A1 (0.37)

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
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 WO disclosed