SCHEMBL7741586

SCHEMBL7741586

CC(C)(C)C1CCCCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SSTR4 P31391 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LIPA P38571 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7738664 1.00 EPHX1 (0.48) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL7739874 1.00 EPHX1 (0.48) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL93482 1.00 EPHX1 (0.48) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL7738636 1.00 EPHX1 (0.48) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL28219573 0.97 EPHX1 (0.46) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
Fluoride SCHEMBL27373487 0.97 EPHX1 (0.46) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL6905025 0.97 EPHX1 (0.46) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL23271 0.96
Methyl Alcohol SCHEMBL27768087 0.94 EPHX1 (0.50) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
Cyanide SCHEMBL28137542 0.91 EPHX1 (0.43) EPHX1SMN1; SMN2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 US disclosed