SCHEMBL9503130

SCHEMBL9503130

Oc1cc(-c2ccccc2)c(O)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.73
ESR2 Q92731 1/20 0.57
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
ALOX5 P09917 3/20 0.50
HPGD P15428 2/20 0.50
BCL2L1 Q07817 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE4B Q07343 2/20 0.42
PELI1 Q96FA3 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CSNK2A1 P68400 1/20 0.41
ESR1 P03372 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 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
SCHEMBL4760694 0.91 BACE1 (0.65) BACE1ESR2HSD17B10ALDH1A1TSHR
Methane SCHEMBL28000612 0.89 BACE1 (0.62) BACE1ESR2HSD17B10ALDH1A1TSHR
SCHEMBL11714090 0.89 BACE1 (0.56) BACE1ESR2HSD17B10ALDH1A1TSHR
Hydrogen Sulfide SCHEMBL27605605 0.89 BACE1 (0.62) BACE1ESR2HSD17B10ALDH1A1TSHR
Ethane SCHEMBL28177647 0.87 BACE1 (0.60) BACE1ESR2HSD17B10ALDH1A1TSHR
SCHEMBL1754202 0.85 BACE1 (1.00) BACE1ESR2HSD17B10ALDH1A1ALOX5
SCHEMBL6576018 0.81 BACE1 (0.58) BACE1ESR2HSD17B10ALDH1A1ALOX5
SCHEMBL14283895 0.80 BACE1 (0.89) BACE1ESR2HSD17B10ALDH1A1ALOX5
SCHEMBL329155 0.80 BACE1 (0.62) BACE1ESR2HSD17B10ALDH1A1TSHR
SCHEMBL29383789 0.80 BACE1 (0.62) BACE1ESR2HSD17B10ALDH1A1TSHR

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
EP-0262900-B1 ANISOTROPIC MELT POLYESTERS WITH IMPROVED GLASS TRANSITION TEMPERATURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP claimed
EP-0262900-A2 Anisotropic melt polyesters with improved glass transition temperature E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-06 EP claimed
EP-0262900-B1 ANISOTROPIC MELT POLYESTERS WITH IMPROVED GLASS TRANSITION TEMPERATURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP disclosed
US-4766256-A USING 2-CHLORO-S-HYDROCARBYL HYDROQUINONE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-08-23 US disclosed
EP-0262900-A2 Anisotropic melt polyesters with improved glass transition temperature E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-06 EP disclosed
US-4719280-A HYDROQUINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-12 US disclosed