SCHEMBL4057587

SCHEMBL4057587

CCCCC=CCc1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SOAT2 O75908 1/20 0.34
SOAT1 P35610 1/20 0.34
PTGS2 P35354 1/20 0.34
EPHX2 P34913 3/20 0.33
FAAH O00519 2/20 0.33
TOP1 P11387 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
BID P55957 3/20 0.32
BCL2L1 Q07817 3/20 0.32
MCL1 Q07820 3/20 0.32
BAK1 Q16611 3/20 0.32

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
SCHEMBL5206588 0.95 CYP2D6 (0.40) CYP2D6KCNH2SOAT2SOAT1EPHX2
SCHEMBL5204826 0.93 CYP2D6 (0.42) CYP2D6KCNH2SOAT2SOAT1EPHX2
SCHEMBL5207401 0.93 CYP2D6 (0.42) CYP2D6KCNH2SOAT2SOAT1EPHX2
SCHEMBL5206574 0.93 CYP2D6 (0.42) CYP2D6KCNH2SOAT2SOAT1EPHX2
SCHEMBL5207708 0.93 CYP2D6 (0.42) CYP2D6KCNH2SOAT2SOAT1EPHX2
SCHEMBL5207917 0.93 CYP2D6 (0.42) CYP2D6KCNH2SOAT2SOAT1EPHX2
SCHEMBL5209886 0.93 CYP2D6 (0.42) CYP2D6KCNH2SOAT2SOAT1EPHX2
SCHEMBL5207240 0.93 CYP2D6 (0.42) CYP2D6KCNH2SOAT2SOAT1EPHX2
SCHEMBL5207398 0.93 CYP2D6 (0.42) CYP2D6KCNH2SOAT2SOAT1EPHX2
SCHEMBL613044 0.89 TLR8 (0.33) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465010-B1 Positive resist composition FUJIFILM CORP (JP) 2009-10-21 EP disclosed
EP-0980867-B1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2007-08-08 EP disclosed
US-7232640-B1 Positive resist composition FUJIFILM CORPORATION (JP) 2007-06-19 US disclosed
US-20070128547-A1 POSITIVE RESIST COMPOSITION FUJI PHOTO FILM CO., LTD. 2007-06-07 US disclosed
EP-1465010-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. (JP) 2004-10-06 EP disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed