SCHEMBL8500019

SCHEMBL8500019

CC(O)Oc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
HTR6 P50406 1/20 0.59
ESR1 P03372 10/20 0.54
ESR2 Q92731 3/20 0.54
CYP19A1 P11511 3/20 0.54
ESRRG P62508 4/20 0.54
PTGS2 P35354 2/20 0.44
CYP3A4 P08684 1/20 0.42
ESRRB O95718 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41

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
SCHEMBL7723737 1.00 LMNA (0.59) LMNAHTR6ESR1ESR2CYP19A1
SCHEMBL15649793 1.00 LMNA (0.59) LMNAHTR6ESR1ESR2CYP19A1
SCHEMBL5739365 0.95 LMNA (0.54) LMNAHTR6ESR1ESR2CYP19A1
SCHEMBL906294 0.87 LMNA (0.57) LMNAHTR6ESR1ESR2CYP19A1
SCHEMBL9098763 0.87 LMNA (0.57) LMNAHTR6ESR1ESR2CYP19A1
SCHEMBL906290 0.87 LMNA (0.57) LMNAHTR6ESR1ESR2CYP19A1
SCHEMBL7547707 0.84 ESR1 (0.60) HTR6ESR1ESR2CYP19A1ESRRG
SCHEMBL7547715 0.84 ESR1 (0.60) HTR6ESR1ESR2CYP19A1ESRRG
SCHEMBL17506017 0.82 LMNA (0.64) LMNAHTR6ESR1ESR2CYP19A1
SCHEMBL17506015 0.82 LMNA (0.64) LMNAHTR6ESR1ESR2CYP19A1

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-5912273-A COMPOUNDS WITH CHLORO AND HYDROXY GROUPS FOR OSTEOPOROSIS ORION-YHTYMA OY (FI) 1999-06-15 US disclosed
US-5750576-A BONE DISORDERS ORION-YHTYMA OY (FI) 1998-05-12 US disclosed