SCHEMBL9076541

SCHEMBL9076541

CCc1c(C(=O)c2ccc(C)cc2)oc2ccc(NC(=O)C(=O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ TP53 P04637 2/20 0.44
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ THRB P10828 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL8841212 0.89 ALDH1A1 (0.46) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL9075646 0.70 SMN1; SMN2 (0.45) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL8554644 0.70 ALDH1A1 (0.40) MAPTNPC1RAB9ASMN1; SMN2THRB
SCHEMBL9074252 0.70 MAOB (0.50) TP53NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL11231792 0.70 SNCA (0.45) POLB
SCHEMBL8307015 0.69 KDM4E (0.46) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL11234379 0.68 ACHE (0.48) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL11239564 0.68 CA12 (0.58) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8305401 0.67 CA12 (0.53) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL9613267 0.67 NPC1 (0.64) MAPTNPC1RAB9ASMN1; SMN2POLB

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
US-5565488-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 — — US claimed
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