SCHEMBL8965207

SCHEMBL8965207

CC(=O)N(O)C(C)C#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
ALOX5 P09917 6/20 0.47
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PTGS2 P35354 1/20 0.41
EPHX2 P34913 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 1/20 0.39

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
SCHEMBL8965068 0.88 ALOX5 (0.61) ACACBALOX5EPHX2
SCHEMBL8966035 0.79 ALOX5 (0.57) ALOX5EPHX2
SCHEMBL9048674 0.78 ALOX5 (0.71) ACACBALOX5EPHX2
SCHEMBL9048409 0.75 ALOX5 (0.53) ACACBALOX5EPHX2FFAR1
SCHEMBL9348018 0.75 ALOX5 (0.81) ACACBALOX5PTGS2EPHX2
SCHEMBL30153463 0.74 CYP1A2 (0.59) ACACBCYP1A1CYP1A2CYP1B1PTGS2
SCHEMBL8305355 0.74 ALOX5 (0.58) ALOX5EPHX2
SCHEMBL9707327 0.73 ALOX5 (0.56) ALOX5PTGS2
SCHEMBL9195413 0.73 FFAR1 (0.54) ALOX5FFAR1
SCHEMBL9048203 0.73 ALOX5 (0.79) ACACBALOX5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696271-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP claimed
WO-1994025430-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO claimed
EP-0696271-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025430-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO disclosed