SCHEMBL6158087

SCHEMBL6158087

Cc1cc(C2(c3cc(C)c(O)c(C)c3)c3ccccc3-c3ccccc32)cc(C)c1O.Oc1c(Br)cc(C2(c3cc(Br)c(O)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
AKR1C1 Q04828 1/20 0.49
HSP90AA1 P07900 1/20 0.46
DHFR P00374 2/20 0.41
TYMS P04818 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
OPRK1 P41145 1/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL7739556 0.95 ESR1 (0.59) ESR1ESR2AKR1C1HSP90AA1DHFR
SCHEMBL29378579 0.90 ESR1 (0.69) ESR1ESR2L3MBTL1ALDH1A1MEN1
SCHEMBL515744 0.90 ESR1 (0.69) ESR1ESR2L3MBTL1ALDH1A1MEN1
SCHEMBL30806212 0.90 ESR1 (0.69) ESR1ESR2L3MBTL1ALDH1A1MEN1
SCHEMBL2029878 0.90 AKR1C1 (0.57) ESR1ESR2AKR1C1HSP90AA1DHFR
SCHEMBL29967186 0.90 AKR1C1 (0.57) ESR1ESR2AKR1C1HSP90AA1DHFR
SCHEMBL18386004 0.85 ESR1 (0.63) ESR1ESR2L3MBTL1ALDH1A1MEN1
Phenol SCHEMBL3001011 0.84 ESR2 (0.61) ESR1ESR2TYMSL3MBTL1ALDH1A1
SCHEMBL10696087 0.83 ESR1 (0.64) ESR1ESR2TYMSL3MBTL1ALDH1A1
SCHEMBL9769550 0.83 ESR1 (0.64) ESR1ESR2TYMSL3MBTL1ALDH1A1

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
EP-1204693-B1 POLYESTERCARBONATE COMPRISING RESIDUES OF BRANCHED DIACIDS GEN ELECTRIC (US) 2005-02-09 EP disclosed
EP-1204693-A1 POLYESTERCARBONATE COMPRISING RESIDUES OF BRANCHED DIACIDS GENERAL ELECTRIC COMPANY (US) 2002-05-15 EP disclosed
WO-2001009222-A1 POLYESTERCARBONATE COMPRISING RESIDUES OF BRANCHED DIACIDS GENERAL ELECTRIC COMPANY (US) 2001-02-08 WO disclosed