SCHEMBL8972897

SCHEMBL8972897

COC=CC(=O)O.Clc1ccc(C#Cc2ccc3ccccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
FFAR1 O14842 3/20 0.40
HAO1 Q9UJM8 1/20 0.38
ASIC3 Q9UHC3 2/20 0.37
PTGES O14684 2/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2A6 P11509 1/20 0.36
KAT6A Q92794 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL8961084 0.92 FFAR1 (0.48) ACACBFFAR1ASIC3ABCG2
SCHEMBL8973413 0.90 HAO1 (0.41) ACACBFFAR1HAO1PTGESPTGDR2
SCHEMBL8973191 0.89 ACACB (0.38) ACACBFFAR1ASIC3ABCG2
SCHEMBL9128248 0.89 NPC1 (0.43) ACACBFFAR1PTGESMEN1NPC1
SCHEMBL8961060 0.89 ACACB (0.42) ACACBFFAR1ASIC3MEN1NPC1
SCHEMBL8961303 0.89 NPC1 (0.43) ACACBFFAR1PTGESMEN1NPC1
SCHEMBL8973059 0.89 PTGDR2 (0.39) ACACBFFAR1HAO1PTGDR2
SCHEMBL8961234 0.89 ACACB (0.37) ACACBFFAR1MEN1NPC1RAB9A
SCHEMBL8973007 0.88 ACACB (0.36) ACACBFFAR1HAO1NPC1RAB9A
SCHEMBL8972671 0.88 ACACB (0.41) ACACBFFAR1HAO1ASIC3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566455-B1 Derivatives of 7-ethynyle alpha-(methoxymethylene)1-naphthalenacetic acid, their process of preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-03-06 EP claimed
US-5380883-A Insecticide, nematocide, miticide ROUSSEL-UCLAF (FR) 1995-01-10 US claimed
EP-0566455-A1 Derivatives of 7-ethynyle alpha-(methoxymethylene)1-naphthalenacetic acid, their process of preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-10-20 EP claimed
EP-0566455-B1 Derivatives of 7-ethynyle alpha-(methoxymethylene)1-naphthalenacetic acid, their process of preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-03-06 EP disclosed
US-5451696-A Parasiticide intermediate ROUSSEL-UCLAF (FR) 1995-09-19 US disclosed
US-5380883-A Insecticide, nematocide, miticide ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed
EP-0566455-A1 Derivatives of 7-ethynyle alpha-(methoxymethylene)1-naphthalenacetic acid, their process of preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-10-20 EP disclosed