SCHEMBL8360240

SCHEMBL8360240

CCCCCC(NC(=O)Cc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc12)C(=O)N(C)CCCC

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.60
AKR1C3 P42330 2/20 0.58
AKR1C2 P52895 1/20 0.57
PTGS1 P23219 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL8361046 0.99 PTGS2 (0.62) PTGS2AKR1C3AKR1C2PTGS1MAPT
SCHEMBL8354816 0.95 LMNA (0.59) PTGS2AKR1C3AKR1C2NPSR1
SCHEMBL8353887 0.95 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8354810 0.94 LMNA (0.58) PTGS2AKR1C3AKR1C2NPSR1
SCHEMBL8358997 0.94 PTGS2 (0.56) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL8360473 0.94 PTGS2 (0.55) PTGS2AKR1C3AKR1C2
SCHEMBL8356524 0.93 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8359033 0.87 LMNA (0.49) PTGS2PTGS1NPSR1
SCHEMBL8360277 0.87 LMNA (0.59) PTGS2AKR1C3AKR1C2NPSR1
SCHEMBL8360565 0.87 PTGS2 (0.59) PTGS2PTGS1

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-5877202-A Indole derivatives useful to treat estrogen-related neoplasms and disorders AVENTISUB II INC. 1999-03-02 US disclosed