SCHEMBL4646558

SCHEMBL4646558

CCCCC(CC)CCC=COC=CCCC(CC)CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 5/20 0.42
TSHR P16473 4/20 0.42
CA2 P00918 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL75662 0.82 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL7101386 0.79 CA2 (0.47) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL7101381 0.79 CA2 (0.47) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL3884493 0.75 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL6550806 0.74 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL3884491 0.74 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL10841137 0.74 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9863535 0.73 FAAH (0.48) TDP1CYP3A4ATMRECQLADORA3
SCHEMBL1974312 0.73 TSHR (0.41) ALDH1A1TSHR
SCHEMBL19481 0.73 TSHR (0.41) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021070491-A1 PHOTOCURABLE COMPOSITION FOR NANOIMPRINTING サンアプロ株式会社 2021-04-15 WO disclosed
EP-1591098-B1 Cationically curable composition for dental use TOKUYAMA CORP (JP) 2008-08-13 EP disclosed
US-7365106-B2 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2008-04-29 US disclosed
CN-1732883-A Cationically curable composition for dental use TOKUYAMA CORP (JP) 2006-02-15 CN disclosed
US-20050250868-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-10 US disclosed
EP-1591098-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-02 EP disclosed