SCHEMBL8769592

SCHEMBL8769592

CC(C)COC(=O)c1c(CC(C)C)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 3/20 0.43
TLR2 O60603 2/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
ELANE P08246 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
GLA P06280 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL6909094 0.83 ALDH1A1 (0.61) ALDH1A1TSHRKDM4ETLR2ADRB2
SCHEMBL2738455 0.81 ALDH1A1 (0.57) ALDH1A1TSHRKDM4ETLR2ADRB2
SCHEMBL17502627 0.81 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ECNR2CNR1
SCHEMBL28396558 0.81 ALDH1A1 (0.54) ALDH1A1TSHRKDM4ETLR2ADRB2
SCHEMBL31080874 0.78 ALDH1A1 (0.67) ALDH1A1TSHRKDM4ETLR2ADRB2
SCHEMBL6909098 0.78 ALDH1A1 (0.58) ALDH1A1TSHRKDM4ETLR2ADRB2
SCHEMBL8028141 0.75 ALDH1A1 (0.72) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL10051639 0.75 CDC25B (0.54) ALDH1A1TSHRKDM4EGLAGAA
SCHEMBL162635 0.74 ALDH1A1 (0.61) ALDH1A1TSHRKDM4ETLR2ADRB2
SCHEMBL14844169 0.73 ALDH1A1 (0.74) ALDH1A1TSHRKDM4EADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604401-B1 Production of a catalyst component for producing crystalline polymers CHISSO CORP (JP) 1997-09-24 EP disclosed
EP-0604401-A2 Production of a catalyst component for producing crystalline polymers CHISSO CORPORATION (JP) 1994-06-29 EP disclosed
US-5173540-A Coordination catalyst comprising titanium compound, organo aluminum compound electron donor and a polymer support; transparent, voidless films produced CHISSO CORPORATION (JP) 1992-12-22 US disclosed
EP-0395391-A2 Catalyst component for producing crystalline polymers and a process for producing the catalyst CHISSO CORPORATION (JP) 1990-10-31 EP disclosed