SCHEMBL8718778

SCHEMBL8718778

Cc1cccc(C([O])C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.44
ACHE P22303 4/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP26A1 O43174 1/20 0.38
AOC3 Q16853 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HSD17B2 P37059 1/20 0.35
PARP1 P09874 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
SCHEMBL4960285 0.82 ACP3 (0.43) ACP3ACHEALDH1A1MAPK1AOC3
SCHEMBL9729373 0.81 ACHE (0.46) ACP3ACHEALDH1A1MAPK1AOC3
SCHEMBL2558034 0.81 ACHE (0.46) ACP3ACHEALDH1A1MAPK1AOC3
SCHEMBL9870224 0.79 ACP3 (0.44) ACP3ACHEALDH1A1MAPK1AOC3
SCHEMBL31490296 0.79 ACP3 (0.44) ACP3ACHEALDH1A1MAPK1AOC3
SCHEMBL1712796 0.78 ACP3 (0.47) ACP3ACHEAOC3TP53TDP1
SCHEMBL27605513 0.77 ACP3 (0.40) ACP3ACHEALDH1A1MAPK1AOC3
SCHEMBL1515743 0.76 ACP3 (0.50) ACP3ACHEMAPK1AOC3LMNA
SCHEMBL7352298 0.76 ACHE (0.50) ACP3ACHEALDH1A1MAPK1AOC3
SCHEMBL22867716 0.75 ACP3 (0.41) ACP3ACHEALDH1A1AOC3TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722448-A4 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO INC (US) 1998-04-29 EP claimed
EP-0722448-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO. INC. (US) 1996-07-24 EP claimed