SCHEMBL2139881

SCHEMBL2139881

Oc1ccc(-c2c(O)ccc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.57
ESR1 P03372 8/20 0.57
ALOX5 P09917 1/20 0.55
BCL2L1 Q07817 2/20 0.54
MMP3 P08254 1/20 0.54
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B1 P14061 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B2 P37059 1/20 0.47
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL9396340 1.00 ESR2 (0.57) ESR2ESR1ALOX5BCL2L1MMP3
SCHEMBL29531437 1.00 ESR2 (0.57) ESR2ESR1ALOX5BCL2L1MMP3
SCHEMBL7102146 1.00 ESR2 (0.57) ESR2ESR1ALOX5BCL2L1MMP3
SCHEMBL217083 0.92 BACE1 (0.54) ESR2ESR1ALOX5BCL2L1PDE4A
SCHEMBL13119867 0.92 BCL2L1 (0.64) ESR2ESR1ALOX5BCL2L1MMP3
Methane SCHEMBL28092273 0.90 BACE1 (0.52) ESR2ESR1ALOX5BCL2L1PDE4A
SCHEMBL27821218 0.90 BACE1 (0.52) ESR2ESR1ALOX5BCL2L1PDE4A
Hydrogen Sulfide SCHEMBL27587800 0.90 BACE1 (0.52) ESR2ESR1ALOX5BCL2L1PDE4A
SCHEMBL9794424 0.88 PDE4A (0.57) ESR2ESR1ALOX5BCL2L1MMP3
SCHEMBL28088187 0.88 ESR2 (0.62) ESR2ESR1ALOX5BCL2L1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390945-B1 Process for preparing 4,4'''-dihydroxyquater-phenyl or derivatives thereof SANKO KAIHATSU KAGAKU KENK (JP) 1993-11-18 EP claimed
JP-7053428-A None JP disclosed
EP-2246377-B1 RESIN COMPOSITION ASAHI KASEI E MATERIALS CORP (JP) 2014-08-27 EP disclosed
US-20110048261-A1 RESIN COMPOSITION ASAHI KASEI E-MATERIALS CORPORATION (JP) 2011-03-03 US disclosed
EP-2246377-A1 RESIN COMPOSITION Asahi Kasei E-materials Corporation (JP) 2010-11-03 EP disclosed
JP-H0753428-A PRODUCTION OF 4,4'''-DIHYDROXYQUATERPHERNYL OR ITS DERIVATIVE SANKO CHEM CO LTD 1995-02-28 JP disclosed
EP-0390945-B1 Process for preparing 4,4'''-dihydroxyquater-phenyl or derivatives thereof SANKO KAIHATSU KAGAKU KENK (JP) 1993-11-18 EP disclosed
EP-0390945-B1 Process for preparing 4,4'''-dihydroxyquater-phenyl or derivatives thereof SANKO KAIHATSU KAGAKU KENK (JP) 1993-11-18 EP disclosed
EP-0390945-A1 Process for preparing 4,4'''-dihydroxyquater-phenyl or derivatives thereof Sanko Kaihatsu Kagaku Kenkyusho (JP) 1990-10-10 EP disclosed