SCHEMBL8681855

SCHEMBL8681855

CC(C)c1cc(C2CCCCCCC2)cc(C(C)C)c1OCCO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ APP P05067 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ HMGCR P04035 1/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MCHR1 Q99705 2/20 0.31
▸ GLRA1 P23415 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 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
SCHEMBL8681749 1.00 ALOX5AP (0.35) ALOX5APFEN1APPCNR2SRD5A2
SCHEMBL8681490 1.00 ALOX5AP (0.35) ALOX5APFEN1APPCNR2SRD5A2
SCHEMBL8681543 0.98 ALOX5AP (0.36) ALOX5APFEN1APPCNR2SRD5A2
SCHEMBL8682034 0.87 ALOX5AP (0.33) ALOX5APFEN1APPHTR1AMCHR1
SCHEMBL8681710 0.82 MCHR1 (0.40) APPHTR1AMCHR1ALDH1A1
SCHEMBL8681755 0.82 MCHR1 (0.40) APPHTR1AMCHR1ALDH1A1
SCHEMBL8681457 0.82 MCHR1 (0.40) APPHTR1AMCHR1ALDH1A1
SCHEMBL8681910 0.80 HTR1A (0.45) ALOX5APFEN1HTR1AKCNH2HRH3
SCHEMBL8682485 0.80 HTR1A (0.45) ALOX5APFEN1HTR1AKCNH2HRH3
SCHEMBL8683132 0.80 HTR1A (0.45) ALOX5APFEN1HTR1AKCNH2HRH3

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-5780194-A PHOTOSENSITIVE LAYER OF POLYESTER BINDING RESIN, ELECTRIC CHARGE GENERATING MATERIAL, AND HOLE TRANSFERRING MATERIAL MITA INDUSTRIAL CO., LTD. (JP) 1998-07-14 — — US disclosed
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