SCHEMBL6905025

SCHEMBL6905025

CC(C)(C)C1CCCCC1.[CH]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SSTR4 P31391 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 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 0.30

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
SCHEMBL93482 0.97 EPHX1 (0.48) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL7739874 0.97 EPHX1 (0.48) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL7741586 0.97 EPHX1 (0.48) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL7738664 0.97 EPHX1 (0.48) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL7738636 0.97 EPHX1 (0.48) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL28219573 0.93 EPHX1 (0.46) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
Fluoride SCHEMBL27373487 0.93 EPHX1 (0.46) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
SCHEMBL23271 0.93
Methyl Alcohol SCHEMBL27768087 0.90 EPHX1 (0.50) EPHX1SMN1; SMN2CYP1A2KDM4EHTT
Cyanide SCHEMBL28137542 0.88 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404759-A1 CYCLOOLEFIN POLYMER BLENDS WITH DIENE POLYMER Baxter International Inc. (US) 2004-04-07 EP disclosed
WO-2002085981-A1 CYCLOOLEFIN POLYMER BLENDS WITH DIENE POLYMER BAXTER INTERNATIONAL INC. (US) 2002-10-31 WO disclosed
EP-1216274-A2 CYCLOOLEFIN BLENDS AND METHOD FOR SOLVENT BONDING POLYOLEFINS BAXTER INTERNATIONAL INC. (US) 2002-06-26 EP disclosed
WO-2001018112-A2 CYCLOOLEFIN BLENDS AND METHOD FOR SOLVENT BONDING POLYOLEFINS BAXTER INTERNATIONAL INC (US) 2001-03-15 WO disclosed