SCHEMBL7099142

SCHEMBL7099142

CCCCC[C]1C2CC3CC(C2)CC1C3

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.33
SPHK1 Q9NYA1 3/20 0.33
ESR1 P03372 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SCD O00767 1/20 0.31
TSHR P16473 1/20 0.30
THRB P10828 1/20 0.30
CYP3A4 P08684 1/20 0.30
PTGS2 P35354 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL191695 0.93 EPHX2 (0.30) EPHX2
SCHEMBL190681 0.83 HSD11B1 (0.31)
SCHEMBL9231484 0.77 EPHX2 (0.32) EPHX2
SCHEMBL39663 0.75 TSHR (0.32) TSHR
Hexane SCHEMBL9293019 0.66 TSHR (0.44) EPHX2ALDH1A1TSHRTHRB
Adamantane SCHEMBL5949927 0.65 TSHR (0.63) EPHX2ALDH1A1TSHRTHRBNPSR1
SCHEMBL17508775 0.65
Adamantane SCHEMBL1071737 0.64 L3MBTL1 (0.37) EPHX2
Hexane SCHEMBL29783000 0.60
SCHEMBL5679424 0.59 TSHR (0.50) ESR1ALDH1A1TSHRTHRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030068573-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-10 US disclosed