SCHEMBL7183948

SCHEMBL7183948

CC1(C)CCOc2c([N+](=O)[O-])cc(CC=O)cc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.40
RXRA P19793 1/20 0.36
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL7183938 0.83 HNF4A (0.44) HNF4ARXRAPTGS1PTGS2MAPT
SCHEMBL7196167 0.78 PTGS1 (0.34) HNF4APTGS1PTGS2
SCHEMBL7183949 0.75 HNF4A (0.48) HNF4ARXRAPTGS1PTGS2MAPT
SCHEMBL21750733 0.73 HNF4A (0.44) HNF4AMAPT
SCHEMBL3998188 0.71 CYP26A1 (0.49) HNF4ARXRA
SCHEMBL9868856 0.64 RXRA (0.45) HNF4ARXRAMAPT
SCHEMBL30983206 0.64 PGR (0.34) HNF4AMAPT
SCHEMBL5782886 0.63 PTGS2 (0.35) PTGS1PTGS2
SCHEMBL21750809 0.63 RARA (0.47) HNF4ARXRAMAPT
SCHEMBL6444615 0.63 ERN1 (0.36) PTGS1PTGS2MAPT

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-6586460-B1 Administering heterocyclic ethers or sulfides to induce apoptosis, cell differentiation and as anticarcinogenic agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2003-07-01 US disclosed