SCHEMBL7789831

SCHEMBL7789831

CCCC12CCC(=O)C=C1c1c(cc(OCc3ccc(C(=O)O)cc3)c(Cl)c1Cl)C2.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.53
ESR2 Q92731 5/20 0.48
ESR1 P03372 3/20 0.48
MRGPRX4 Q96LA9 2/20 0.38
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXRA P19793 4/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL7789781 0.91 ESR1 (0.46) GRM2ESR2ESR1MRGPRX4HPGD
SCHEMBL7789815 0.90 ESR1 (0.47) GRM2ESR2ESR1MRGPRX4HPGD
SCHEMBL1885756 0.86 ESR2 (0.49) GRM2ESR2ESR1HSD17B10MEN1
SCHEMBL7782054 0.86 ESR2 (0.49) GRM2ESR2ESR1HSD17B10MEN1
SCHEMBL7782033 0.85 ESR2 (0.47) GRM2ESR2ESR1MRGPRX4HSD17B10
SCHEMBL1888816 0.84 MEN1 (0.51) GRM2ESR2ESR1HSD17B10MEN1
SCHEMBL6572282 0.84 MEN1 (0.51) GRM2ESR2ESR1HSD17B10MEN1
Potassium SCHEMBL10738982 0.83 MEN1 (0.50) GRM2ESR2ESR1HSD17B10MEN1
SCHEMBL10738974 0.83 MEN1 (0.50) GRM2ESR2ESR1HSD17B10MEN1
Potassium Ion SCHEMBL10738962 0.82 ESR2 (0.48) GRM2ESR2ESR1HSD17B10MEN1

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-6251898-B1 Medical use of fluorenone derivatives for treating and preventing brain and spinal injury QUESTCOR PHARMACEUTICALS, INC. 2001-06-26 US disclosed