SCHEMBL8355300

SCHEMBL8355300

CCCCCCC(NC(=O)Cc1c(C)n(C(=O)CCc2ccccc2)c2ccc(O)cc12)C(=O)N(C)CCCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
PLA2G2A P14555 3/20 0.37
PTGS2 P35354 6/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CNR2 P34972 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR7 P34969 1/20 0.35

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
SCHEMBL8356464 0.91 PTGS2 (0.47) PLA2G2APTGS2
SCHEMBL8360160 0.90 PTGS2 (0.40) PLA2G2APTGS2
SCHEMBL8359842 0.88 PTGS2 (0.47) PLA2G2APTGS2PTGS1
SCHEMBL8361043 0.87 PTGS2 (0.47) PLA2G2APTGS2PTGS1
SCHEMBL8356407 0.86 PLA2G2A (0.51) TP53GAAPLA2G2ACNR2
SCHEMBL8356688 0.86 PLA2G2A (0.54) GAAPLA2G2A
SCHEMBL8355301 0.82 PTGS2 (0.45) GAAPLA2G2APTGS2PTGS1HTR7
SCHEMBL8356739 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8360473 0.81 PTGS2 (0.55) PTGS2
SCHEMBL8354810 0.79 LMNA (0.58) PLA2G2APTGS2

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