SCHEMBL11836738

SCHEMBL11836738

Cc1ccc(C(=O)n2c3c(c4cc(C)ccc42)CC(C(=O)O)CC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.67
AKR1C2 P52895 4/20 0.67
PTGS1 P23219 4/20 0.67
AKR1C4 P17516 1/20 0.67
AKR1C1 Q04828 1/20 0.67
MAPT P10636 3/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HTR6 P50406 1/20 0.42
PTGS2 P35354 2/20 0.41
HSD17B10 Q99714 3/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 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
SCHEMBL11837225 0.94 AKR1C3 (0.63) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11837722 0.94 AKR1C3 (0.62) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11831599 0.94 AKR1C3 (0.77) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11838831 0.92 AKR1C3 (0.77) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11842519 0.91 AKR1C3 (0.62) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11840314 0.90 AKR1C3 (0.84) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11848743 0.89 AKR1C3 (0.58) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11842313 0.87 AKR1C3 (0.54) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11847372 0.84 AKR1C3 (0.64) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
SCHEMBL11836677 0.84 AKR1C3 (0.52) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1

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