SCHEMBL11836306

SCHEMBL11836306

CCOC(=O)C1CCc2c(c3ccccc3n2C(=O)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 4/20 0.48
▸ AKR1C2 P52895 3/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ AKR1C4 P17516 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ ELANE P08246 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ P2RX4 Q99571 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL11828886 0.94 LMNA (0.49) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL8387215 0.88 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11836179 0.88 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11835464 0.88 AKR1C3 (0.53) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11840552 0.88 AKR1C3 (0.45) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11843204 0.86 AKR1C3 (0.45) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11835245 0.86 AKR1C3 (0.45) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11837148 0.86 AKR1C3 (0.49) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11828964 0.85 AKR1C3 (0.48) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL13011086 0.85 PTGDR2 (0.45) MEN1KMT2AALOX15TSHRPTGDR2

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
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 — — US claimed
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 — — US disclosed
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