SCHEMBL6843601

SCHEMBL6843601

CC(C)C(O)c1cccc(C(O)C(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.54
HTR2A P28223 2/20 0.54
ADRB1 P08588 2/20 0.54
MIF P14174 1/20 0.54
HTR2B P41595 1/20 0.54
KDM4E B2RXH2 5/20 0.46
HIF1A Q16665 4/20 0.46
LMNA P02545 4/20 0.46
ADRA2C P18825 3/20 0.46
ADRA2A P08913 2/20 0.46
ALDH1A1 P00352 2/20 0.44
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
TSHR P16473 3/20 0.43
NFKB1 P19838 3/20 0.43
ALOX15 P16050 2/20 0.43
THPO P40225 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CHRM2 P08172 1/20 0.43
RGS12 O14924 1/20 0.43

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
SCHEMBL6055100 0.93 KDM4E (0.50) ADRA1AHTR2AADRB1MIFHTR2B
SCHEMBL13620753 0.85 ADRB1 (0.74) ADRA1AHTR2AADRB1MIFHTR2B
SCHEMBL6055386 0.85 ACHE (0.48) ADRA1AHTR2AADRB1MIFHTR2B
SCHEMBL1812811 0.84 SLC6A2 (0.51) ADRA1AHTR2AADRB1MIFHTR2B
SCHEMBL13626474 0.84 ADRA1A (0.46) ADRA1AHTR2AADRB1MIFHTR2B
SCHEMBL28951519 0.84 ACP3 (0.46) ADRA1AHTR2AADRB1MIFHTR2B
SCHEMBL9667227 0.84 CES2 (0.50) ADRA1AHTR2AADRB1MIFHTR2B
SCHEMBL1961679 0.83 KDM4E (0.65) ADRA1AHTR2AKDM4EHIF1ALMNA
SCHEMBL765762 0.83 KDM4E (0.65) ADRA1AHTR2AKDM4EHIF1ALMNA
SCHEMBL28263575 0.83 KDM4E (0.65) ADRA1AHTR2AKDM4EHIF1ALMNA

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
US-20040116619-A1 Polyester resins with improved properties POLYMERS AUSTRALIA PTY LIMITED (AU) 2004-06-17 US claimed
US-20040116619-A1 Polyester resins with improved properties POLYMERS AUSTRALIA PTY LIMITED (AU) 2004-06-17 US disclosed
EP-0089781-B1 BICYCLIC BENZO FUSED COMPOUNDS PFIZER INC. (US) 1990-08-08 EP disclosed
US-4870084-A ANALGESICS, ANTIDIARRHEALS PFIZER INC. (US) 1989-09-26 US disclosed
US-4863934-A Bicyclic benzo fused pyran compounds used for producing analgesia PFIZER INC. (US) 1989-09-05 US disclosed
US-4841078-A ANALGESICS PFIZER INC. (US) 1989-06-20 US disclosed
US-4680404-A ANALGESICS, TRANQUILIZERS, ANTIEMETICS, DIURETICS, ANTICONVULSANTS PFIZER INC. (US) 1987-07-14 US disclosed
US-4486428-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-12-04 US disclosed
EP-0089781-A2 Bicyclic benzo fused compounds PFIZER INC. (US) 1983-09-28 EP disclosed