SCHEMBL8683045

SCHEMBL8683045

CC(C)c1cc(C2CCCC2)ccc1OCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.39
▸ MCHR1 Q99705 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ APP P05067 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ PLA2G1B P04054 1/20 0.34

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
SCHEMBL8681710 0.99 MCHR1 (0.40) HTR1AMCHR1ALDH1A1KDM4EKMT2A
SCHEMBL8681457 0.99 MCHR1 (0.40) HTR1AMCHR1ALDH1A1KDM4EKMT2A
SCHEMBL8681755 0.99 MCHR1 (0.40) HTR1AMCHR1ALDH1A1KDM4EKMT2A
SCHEMBL8686595 0.87 PPARG (0.38) HTR1AMCHR1ALDH1A1KDM4EKMT2A
SCHEMBL11340769 0.82 MEN1 (0.38) HTR1AMCHR1ALDH1A1KMT2APDE4A
SCHEMBL8681543 0.81 ALOX5AP (0.36) HTR1AAPP
SCHEMBL8686869 0.81 KDM4E (0.43) MCHR1ALDH1A1KDM4EKMT2ALMNA
SCHEMBL8681729 0.80 PPARG (0.39) HTR1AMCHR1ALDH1A1KDM4EKMT2A
SCHEMBL8682986 0.80 KDM4E (0.45) MCHR1ALDH1A1KDM4EKMT2ALMNA
SCHEMBL8681490 0.80 ALOX5AP (0.35) HTR1AMCHR1ALDH1A1APP

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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