SCHEMBL8356407

SCHEMBL8356407

CCCCCC(NC(=O)Cc1c(C)n(CCCc2ccccc2)c2ccc(O)cc12)C(=O)N(C)CCCC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 14/20 0.51
GAA P10253 3/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8354405 0.91 PLA2G2A (0.65) PLA2G2AKDM4EMEN1KMT2A
SCHEMBL8356688 0.91 PLA2G2A (0.54) PLA2G2AGAAALDH1A1MAPTPKM
SCHEMBL8355146 0.89 PLA2G2A (0.55) PLA2G2AGAATP53MEN1KMT2A
SCHEMBL8355300 0.86 TP53 (0.37) PLA2G2AGAATP53CNR2
SCHEMBL8361043 0.83 PTGS2 (0.47) PLA2G2ATSHRLMNA
SCHEMBL8359842 0.83 PTGS2 (0.47) PLA2G2ATSHRLMNA
SCHEMBL8356293 0.81 PLA2G2A (0.61) PLA2G2AALDH1A1MAPTPKMMEN1
SCHEMBL8356411 0.81 PLA2G2A (0.49) PLA2G2AGAAALDH1A1MAPTPKM
SCHEMBL8356918 0.80 PLA2G2A (0.51) PLA2G2A
SCHEMBL8361049 0.80 ESR1 (0.42) PLA2G2AGAAALDH1A1MAPTPKM

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