SCHEMBL28858706

SCHEMBL28858706

CCCCC(CC)COOOOC(C)(C)CC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 7/20 0.37
CA2 P00918 3/20 0.35
RECQL P46063 1/20 0.33
LMNA P02545 2/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 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
SCHEMBL502643 0.88 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28858716 0.86 CYP3A4 (0.44) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL4551553 0.85 CYP3A4 (0.43) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL4271486 0.84 CYP3A4 (0.42) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL27500525 0.81 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
Bicarbonate SCHEMBL28885295 0.81 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL10448343 0.80 CYP3A4 (0.55) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL22733766 0.78 CYP3A4 (0.49) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL1302977 0.77 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28721576 0.77 CYP3A4 (0.39) CYP3A4L3MBTL1TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115926041-A Network cross-linked structure hydroxyl aqueous dispersion and preparation method thereof 无锡洪汇新材料科技股份有限公司 2023-04-07 CN disclosed
CN-115160511-A Hydroxyl-containing aqueous resin dispersion and preparation method thereof 无锡洪汇新材料科技股份有限公司 2022-10-11 CN disclosed