SCHEMBL5709263

SCHEMBL5709263

CC(=Cc1ccccc1)C(=O)OC#Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
DHODH Q02127 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
FFAR1 O14842 1/20 0.38
RECQL P46063 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
VCP P55072 1/20 0.37
F2 P00734 1/20 0.37
GAA P10253 1/20 0.37
STAT1 P42224 1/20 0.37
FBP1 P09467 1/20 0.37

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
SCHEMBL25391778 0.80 NPSR1 (0.43) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL17667984 0.79 AKR1C3 (0.56) AKR1C3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL27636004 0.79 AKR1C3 (0.56) AKR1C3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL17667983 0.77 ELANE (0.42) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL9364505 0.76 NPSR1 (0.46) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL28489502 0.76 AKR1C3 (0.67) AKR1C3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL23880583 0.76 APP (0.44) ALDH1A1RAB9ANPC1FFAR1VCP
SCHEMBL12276505 0.74 AKR1C3 (0.64) AKR1C3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL464969 0.74 AKR1C3 (0.64) AKR1C3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL522434 0.74 AKR1C3 (0.64) AKR1C3ALDH1A1RAB9ANPC1SMN1; SMN2

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-3739677-B1 ANODE SLURRY COMPOSITION LG ENERGY SOLUTION LTD (KR) 2022-06-01 EP claimed
EP-1229555-B1 SHIELDED FLAT CABLE BRIDGESTONE CORP (JP) 2006-10-18 EP claimed
EP-0301523-B1 MOLDING OF MODIFIED POLYPHENYLENE OXIDE RESIN SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1992-09-30 EP claimed