SCHEMBL5115235

SCHEMBL5115235

CCC(=O)Oc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(C=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.60
KMT2A Q03164 2/20 0.60
RECQL P46063 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60
ELANE P08246 1/20 0.59
ESR2 Q92731 4/20 0.56
PGR P06401 3/20 0.56
PTGS2 P35354 1/20 0.55
CYP19A1 P11511 2/20 0.52
MAPT P10636 2/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
NR1I2 O75469 1/20 0.51
PRKD3 O94806 1/20 0.51
ABCB11 O95342 1/20 0.51
EGFR P00533 1/20 0.51
GBA1 P04062 1/20 0.51
NR3C1 P04150 1/20 0.51

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
SCHEMBL5069436 1.00 ESR1 (0.60) ESR1KMT2ARECQLSMN1; SMN2HIF1A
SCHEMBL5069483 0.86 ESR1 (0.79) ESR1ESR2PGR
SCHEMBL5069478 0.86 ESR1 (0.79) ESR1ESR2PGR
SCHEMBL5069475 0.86 ESR1 (0.79) ESR1ESR2PGR
SCHEMBL5124515 0.86 ESR1 (0.68) ESR1ESR2PGRPTGS2CYP19A1
SCHEMBL5124519 0.86 ESR1 (0.68) ESR1ESR2PGRPTGS2CYP19A1
SCHEMBL5124512 0.86 ESR1 (0.68) ESR1ESR2PGRPTGS2CYP19A1
SCHEMBL5069489 0.85 PTGS2 (0.66) ESR1KMT2AESR2PGRPTGS2
SCHEMBL5069485 0.85 PTGS2 (0.66) ESR1KMT2AESR2PGRPTGS2
SCHEMBL1564782 0.82 KMT2A (0.68) ESR1KMT2ARECQLSMN1; SMN2HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442833-B2 Triphenylethylene compounds as selective estrogen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US disclosed
EP-1692127-A2 TRIPHENYLETHYLENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-23 EP disclosed
WO-2005033056-A2 TRIPHENYLETHYLENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-04-14 WO disclosed