SCHEMBL9711019

SCHEMBL9711019

COC(=O)C(C)Oc1cccc2c(O)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.51
PLAU P00749 1/20 0.51
ESR1 P03372 11/20 0.48
ESR2 Q92731 11/20 0.48
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
JAK2 O60674 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.43
NR5A1 Q13285 4/20 0.43
RORA P35398 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL9315719 0.84 KMT2A (0.56) ESR1ESR2KMT2AMEN1GAA
SCHEMBL7812520 0.83 KMT2A (0.50) F9PLAUKMT2AGAAMAPT
SCHEMBL27296339 0.83 F9 (0.46) F9PLAUKMT2AGAAMAPT
SCHEMBL9315126 0.82 NR5A1 (0.44) ESR1ESR2KMT2AMEN1GAA
SCHEMBL9840813 0.81 MAPT (0.51) ESR1ESR2KMT2AMEN1GAA
SCHEMBL23368144 0.77 TSHR (0.54) F9PLAUKMT2AMEN1MAPT
SCHEMBL18331090 0.77 TSHR (0.54) F9PLAUKMT2AMEN1MAPT
SCHEMBL5757213 0.77 F9 (0.50) F9PLAUKMT2AMEN1SMN1; SMN2
SCHEMBL6313497 0.77 F9 (0.50) F9PLAUKMT2AMEN1SMN1; SMN2
SCHEMBL4653785 0.75 HTR1B (0.49) F9PLAUKMT2AMEN1USP2

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
WO-1992018467-A1 CYANOPHENOXYNAPHTHYL OXYCARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed