SCHEMBL8286997

SCHEMBL8286997

COc1ccc(/C(O)=C2/C(=O)N(C(C)=O)c3ccc(C(C)=O)cc32)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4B Q07343 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL4299579 0.91 MAPT (0.47) MAPTSMN1; SMN2MEN1KMT2ANR1H2
SCHEMBL4299584 0.91 MAPT (0.47) MAPTSMN1; SMN2MEN1KMT2ANR1H2
SCHEMBL13970640 0.88 PDE4D (0.39) MAPTSMN1; SMN2PDE4BTUBB4ATUBB
SCHEMBL4310212 0.84 P2RX3 (0.43) MAPTNR1H2NR1H3SYKAURKB
SCHEMBL4310215 0.84 P2RX3 (0.43) MAPTNR1H2NR1H3SYKAURKB
SCHEMBL4301095 0.83 MEN1 (0.44) MAPTSMN1; SMN2MEN1KMT2ANR1H2
SCHEMBL4301090 0.83 MEN1 (0.44) MAPTSMN1; SMN2MEN1KMT2ANR1H2
SCHEMBL4299508 0.83 AKR1C3 (0.39) MAPTSMN1; SMN2MEN1KMT2ANR1H2
SCHEMBL4299504 0.83 AKR1C3 (0.39) MAPTSMN1; SMN2MEN1KMT2ANR1H2
SCHEMBL4301488 0.82 NPC1 (0.44) MAPTSMN1; SMN2MEN1KMT2ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005087726-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed