SCHEMBL8973007

SCHEMBL8973007

COC=CC(=O)O.Fc1ccc(C#Cc2ccc3ccccc3c2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
FFAR1 O14842 3/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CXCR2 P25025 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
GRM4 Q14833 1/20 0.33
RPA1 P27694 1/20 0.33
EGFR P00533 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.33

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
SCHEMBL8973191 0.90 ACACB (0.38) ACACBABCG2FFAR1MAPTKDM4E
SCHEMBL8972897 0.88 ACACB (0.41) ACACBABCG2NPC1RAB9AFFAR1
SCHEMBL8973413 0.86 HAO1 (0.41) ACACBFFAR1HAO1
SCHEMBL8972671 0.86 ACACB (0.41) ACACBFFAR1MAPTSMN1; SMN2HAO1
SCHEMBL8961084 0.85 FFAR1 (0.48) ACACBABCG2FFAR1KDM4E
SCHEMBL8972830 0.85 FFAR1 (0.43) ACACBABCG2FFAR1KDM4E
SCHEMBL8973059 0.84 PTGDR2 (0.39) ACACBFFAR1MAPTHAO1
SCHEMBL8961234 0.84 ACACB (0.37) ACACBABCG2NPC1RAB9AFFAR1
SCHEMBL8972898 0.82 FFAR1 (0.38) ACACBABCG2NPC1FFAR1KDM4E
SCHEMBL9128248 0.82 NPC1 (0.43) ACACBNPC1RAB9AFFAR1HTT

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-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