SCHEMBL8972671

SCHEMBL8972671

COC=CC(=O)O.Fc1ccc(C#Cc2ccc3ccccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
FFAR1 O14842 6/20 0.40
HAO1 Q9UJM8 1/20 0.38
ASIC3 Q9UHC3 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
DHODH Q02127 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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) ACACBFFAR1ASIC3LMNAKDM4E
SCHEMBL8960888 0.90 SIRT2 (0.38) ACACBFFAR1HAO1
SCHEMBL9128248 0.89 NPC1 (0.43) ACACBFFAR1LMNASMN1; SMN2MEN1
SCHEMBL8961303 0.89 NPC1 (0.43) ACACBFFAR1LMNASMN1; SMN2MEN1
SCHEMBL8961060 0.89 ACACB (0.42) ACACBFFAR1ASIC3MEN1KMT2A
SCHEMBL8972851 0.88 MEN1 (0.42) ACACBFFAR1ASIC3LMNAMAPT
SCHEMBL8961011 0.88 KDM4E (0.44) ACACBFFAR1ASIC3LMNAMAPT
SCHEMBL8961086 0.88 ACACB (0.41) ACACBFFAR1HAO1ASIC3ALDH1A1
SCHEMBL8972897 0.88 ACACB (0.41) ACACBFFAR1HAO1ASIC3MEN1
SCHEMBL8961092 0.87 PTPN1 (0.40) ACACBFFAR1

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