SCHEMBL28458985

SCHEMBL28458985

CCCCCOC(=O)OCC(CC)CCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.60
TSHR P16473 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
ATM Q13315 1/20 0.60
ALDH1A1 P00352 5/20 0.53
CA2 P00918 2/20 0.53
RECQL P46063 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
NAAA Q02083 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL13133102 0.98 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10027500 0.98 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1508556 0.98 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL38663001 0.98 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL18856341 0.95 PRSS1 (0.56) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13133073 0.93 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL18388451 0.91 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL94797 0.91 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10027496 0.91 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13799407 0.89 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMALDH1A1

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-111690247-B Resin composition and use thereof 台燿科技股份有限公司 2024-01-02 CN claimed
CN-111690247-A Resin composition and use thereof 台燿科技股份有限公司 2020-09-22 CN disclosed