SCHEMBL7188148

SCHEMBL7188148

COc1ccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(C=CC(=O)N(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
ESR1 P03372 7/20 0.47
ESR2 Q92731 4/20 0.47
TRPM8 Q7Z2W7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
F3 P13726 1/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL7189519 0.88 ESR1 (0.54) ESR1ESR2
SCHEMBL7184758 0.88 ESR1 (0.58) ESR1ESR2THRBATM
SCHEMBL7184764 0.88 ESR1 (0.58) ESR1ESR2THRBATM
Water SCHEMBL7184036 0.87 ESR1 (0.57) ESR1ESR2THRBATM
Water SCHEMBL7184030 0.87 ESR1 (0.57) ESR1ESR2THRBATM
SCHEMBL7184090 0.83 CYP3A4 (0.52) ESR1ESR2LMNAMEN1CYP3A4
SCHEMBL7182557 0.83 ESR1 (0.59) ESR1ESR2THRBATM
SCHEMBL7182553 0.83 ESR1 (0.59) ESR1ESR2THRBATM
SCHEMBL7189464 0.82 ESR1 (0.55) ESR1ESR2THRBATMTUBB4A
SCHEMBL7181393 0.82 ESR1 (0.54) ESR1ESR2THRBATMMAPT

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
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP claimed