SCHEMBL28849031

SCHEMBL28849031

CCC(CC)COC(=O)C(CC(=O)OCC(C)C)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
TSHR P16473 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
MME P08473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
BIRC2 Q13490 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PRKCA P17252 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL28209281 0.90 RECQL (0.40) RECQLTSHRTDP1CYP3A4ATM
SCHEMBL2453430 0.90 TSHR (0.39) TSHRTDP1MMEL3MBTL1PRKCA
SCHEMBL5728605 0.83 TSHR (0.39) RECQLTSHRTDP1CYP3A4ATM
SCHEMBL4635108 0.80 MME (0.50) TSHRTDP1MMEBIRC2L3MBTL1
SCHEMBL234417 0.79 TSHR (0.43) RECQLTSHRTDP1CYP3A4ATM
SCHEMBL30547120 0.79 TDP1 (0.47) RECQLTSHRTDP1CYP3A4ATM
SCHEMBL28983535 0.79 TSHR (0.42) TSHRMMESMN1; SMN2SLC6A2SLC6A4
SCHEMBL29245234 0.76 TSHR (0.46) TSHRMMESMN1; SMN2ALDH1A1
SCHEMBL26914639 0.76 MGAM (0.40) RECQLTSHRTDP1CYP3A4SMN1; SMN2
SCHEMBL28148945 0.76 RECQL (0.42) RECQLTSHRTDP1CYP3A4ATM

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
CN-115135681-A Propylene-based polymer composition with high molecular weight tail 埃克森美孚化学专利公司 2022-09-30 CN disclosed