SCHEMBL8973407

SCHEMBL8973407

CC(C)(C)c1ccc(C#Cc2ccc3ccccc3c2)cc1.COC=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
ACACB O00763 2/20 0.40
FFAR1 O14842 2/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ENPP1 P22413 1/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ASIC3 Q9UHC3 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 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 0.90 FFAR1 (0.48) ACACBFFAR1ASIC3ALDH1A1LMNA
SCHEMBL8961092 0.89 PTPN1 (0.40) RARBRARGACACBFFAR1ENPP1
SCHEMBL8961060 0.86 ACACB (0.42) ACACBFFAR1RAB9AMEN1KMT2A
SCHEMBL8961303 0.86 NPC1 (0.43) ACACBFFAR1RAB9AMEN1KMT2A
SCHEMBL9128248 0.86 NPC1 (0.43) ACACBFFAR1RAB9AMEN1KMT2A
SCHEMBL8961018 0.85 HAO1 (0.38) ACACBFFAR1MAPTALDH1A1KDM4E
SCHEMBL8972851 0.85 MEN1 (0.42) ACACBFFAR1RAB9AMEN1KMT2A
SCHEMBL8972671 0.85 ACACB (0.41) ACACBFFAR1MEN1KMT2AMAPT
SCHEMBL8961011 0.85 KDM4E (0.44) ACACBFFAR1MEN1KMT2AMAPT
SCHEMBL8961086 0.85 ACACB (0.41) ACACBFFAR1ASIC3ALDH1A1

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
US-5380883-A Insecticide, nematocide, miticide ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed