SCHEMBL9885459

SCHEMBL9885459

N#Cc1ccc(C#Cc2ccc3c(c2)C(=O)OC3=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.49
FFAR1 O14842 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
PRF1 P14222 1/20 0.38
PGR P06401 1/20 0.37

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
SCHEMBL2209314 0.91 ALOX15 (0.48) GRM5ALOX15TDP1NOS3NOS1
SCHEMBL9611211 0.91 GRM5 (0.56) GRM5ALOX15TDP1ALDH1A1
SCHEMBL2640689 0.89 GRM5 (0.53) GRM5ALOX15TDP1ALDH1A1
SCHEMBL72823 0.85 GRM5 (0.66) GRM5ALOX15TDP1ALDH1A1
SCHEMBL14252062 0.82 GRM5 (0.65) GRM5FFAR1ALOX15TDP1ALDH1A1
SCHEMBL4577919 0.82 GRM5 (0.49) GRM5ALOX15TDP1ALDH1A1CA1
SCHEMBL14252340 0.82 PGR (0.51) ALOX15TDP1NOS3NOS1NOS2
SCHEMBL27186006 0.82 GRM5 (0.49) GRM5ALOX15TDP1ALDH1A1PGR
SCHEMBL12314488 0.81 ALOX15 (0.46) GRM5ALOX15TDP1ALDH1A1CA1
SCHEMBL9885475 0.81 GRM5 (0.56) GRM5ALOX15TDP1ALDH1A1

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
EP-1586569-B1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORP (JP) 2012-06-06 EP disclosed