SCHEMBL28031953

SCHEMBL28031953

CCCCC(CC)CO[PH](=O)OCC(CC)CCCC.[KH]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 7/20 0.43
CA2 P00918 3/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL329554 0.98 CYP3A4 (0.55) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28689341 0.96 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL30249980 0.96 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL26910372 0.96 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL31416102 0.96 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
Hexane SCHEMBL28501779 0.96 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL30250357 0.96 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28822364 0.96 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
Hydrochloric Acid SCHEMBL28151608 0.94 CYP3A4 (0.52) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL14988343 0.91 CYP3A4 (0.49) 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-104945551-A Application of environment-friendly surfactant in synthesis of fluorine-containing polymer ZHEJIANG RES INST CHEMICAL INDUSTRY LTD 2015-09-30 CN disclosed
CN-104892811-A Ethylene-trifluorochloroethylene copolymer with novel structure, and preparation method and application thereof ZHEJIANG RES INST CHEMICAL INDUSTRY LTD 2015-09-09 CN disclosed