SCHEMBL9322798

SCHEMBL9322798

CC1(c2ccc(O)cc2)CCCC(C)(c2ccc(O)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.50
ESR1 P03372 5/20 0.50
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CYP3A4 P08684 1/20 0.35
TYR P14679 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL1495106 0.91 ESR2 (0.54) ESR2ESR1MMP2MMP9MAPT
SCHEMBL5241008 0.86 ESR2 (0.60) ESR2ESR1MMP2MMP9MAPT
SCHEMBL1516123 0.84 ESR2 (0.61) ESR2ESR1MMP2MMP9MAPT
SCHEMBL1408477 0.82 ESR1 (0.39) ESR2ESR1MMP2MMP9MAPT
SCHEMBL4492789 0.81 ESR2 (0.52) ESR2ESR1MMP2MMP9MAPT
SCHEMBL21755391 0.76 ESR2 (0.40) ESR2ESR1MMP2MMP9OPRD1
Phenol SCHEMBL4491407 0.74 CA12 (0.48) ESR2ESR1MMP2MMP9MAPT
SCHEMBL669016 0.74 ESR2 (0.61) ESR2ESR1MMP2MMP9MAPT
SCHEMBL1516011 0.74 ESR2 (0.41) ESR2ESR1MMP2MMP9ALDH1A1
SCHEMBL7184823 0.74 ESR2 (0.46) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344999-A Monomers with high glass transition temperatures and with ductility GENERAL ELECTRIC COMPANY (US) 1994-09-06 US disclosed
US-5344999-A Monomers with high glass transition temperatures and with ductility GENERAL ELECTRIC COMPANY (US) 1994-09-06 US disclosed
EP-0602874-A1 1,3-Bis(4-hydroxyphenyl)-1,3-dialkylcyclohexanes and polycarbonates prepared therefrom GENERAL ELECTRIC COMPANY (US) 1994-06-22 EP disclosed
EP-0602874-A1 1,3-Bis(4-hydroxyphenyl)-1,3-dialkylcyclohexanes and polycarbonates prepared therefrom GENERAL ELECTRIC COMPANY (US) 1994-06-22 EP disclosed
US-5281688-A Polycarbonate from 1,3-bis(4-hydroxyphenyl)-1,3-dialkylcyclohexanes GENERAL ELECTRIC COMPANY (US) 1994-01-25 US disclosed
US-5281688-A Polycarbonate from 1,3-bis(4-hydroxyphenyl)-1,3-dialkylcyclohexanes GENERAL ELECTRIC COMPANY (US) 1994-01-25 US disclosed