SCHEMBL9048462

SCHEMBL9048462

CNC(=O)N(O)C(C)C#CCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TSHR P16473 2/20 0.38
KMT2A Q03164 5/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 4/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.35

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
SCHEMBL9049066 0.83 ALOX5 (0.47) FFAR1FFAR4
SCHEMBL9367947 0.79 ALOX5 (0.44) KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL9049626 0.76 ALOX5 (0.45) KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL9048409 0.76 ALOX5 (0.53) FFAR1
SCHEMBL21494233 0.73 SMN1; SMN2 (0.44) FFAR1FFAR4TSHRKMT2ACYP2D6
SCHEMBL16344430 0.71 FFAR1 (0.42) FFAR1FFAR4TSHRKMT2ACYP2D6
SCHEMBL16673114 0.70 FFAR1 (0.43) FFAR1FFAR4TSHRKMT2AMEN1
SCHEMBL27416780 0.70 FFAR1 (0.41) FFAR1FFAR4TSHRKMT2ACYP2D6
SCHEMBL27416779 0.70 FFAR1 (0.41) FFAR1FFAR4TSHRKMT2ACYP2D6
SCHEMBL9048880 0.69 ALOX5 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed