SCHEMBL8972898

SCHEMBL8972898

COC=CC(=O)O.Clc1cccc(C#Cc2ccc3ccccc3c2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.38
SLC16A3 O15427 4/20 0.35
ACACB O00763 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR2 O15552 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL8972830 0.92 FFAR1 (0.43) FFAR1SLC16A3ACACBABCG2KDM4E
SCHEMBL8973191 0.85 ACACB (0.38) FFAR1ACACBABCG2KDM4EALDH1A1
SCHEMBL8973059 0.85 PTGDR2 (0.39) FFAR1ACACBPTGDR2
SCHEMBL8961234 0.85 ACACB (0.37) FFAR1ACACBABCG2KDM4EPTGDR2
SCHEMBL8973413 0.84 HAO1 (0.41) FFAR1ACACBLMNAPTGDR2
SCHEMBL8972897 0.84 ACACB (0.41) FFAR1ACACBABCG2PTGDR2MEN1
SCHEMBL8961084 0.84 FFAR1 (0.48) FFAR1ACACBABCG2KDM4EALDH1A1
SCHEMBL8973007 0.82 ACACB (0.36) FFAR1ACACBABCG2KDM4ENPC1
SCHEMBL8961303 0.80 NPC1 (0.43) FFAR1ACACBLMNAMEN1KMT2A
SCHEMBL9128248 0.80 NPC1 (0.43) FFAR1ACACBLMNAMEN1KMT2A

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-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
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