SCHEMBL9615567

SCHEMBL9615567

CCCCC(CC)C[CH]CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 5/20 0.45
TSHR P16473 4/20 0.45
CA2 P00918 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4653061 0.91 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL304763 0.86 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL27602857 0.85 LMNA (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL5072593 0.84 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL2472202 0.83 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4920279 0.82 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL2597749 0.80 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL565654 0.80 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL2525445 0.79 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1803766 0.79 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2

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-5096799-A Carboxy grou-containing binder, photoinitiator with lophine dimer, carboxy and ester group-containing compound to prevent discoloration, monomer; storage stable FUJI PHOTO FILM CO., LTD. (JP) 1992-03-17 US disclosed