SCHEMBL20658182

SCHEMBL20658182

CCCCC(CC)COP(O)OCC(CC)CCCC.[Nd]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.49
TSHR P16473 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 7/20 0.48
CA2 P00918 3/20 0.43
RECQL P46063 1/20 0.41
LMNA P02545 3/20 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
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
SCHEMBL178142 0.98 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL28348841 0.96 CYP3A4 (0.49) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL29088673 0.92 CYP3A4 (0.46) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL8435978 0.90 LMNA (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL11499586 0.89 CYP3A4 (0.46) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL11314098 0.89 PRSS1 (0.45) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL31596331 0.88 CYP3A4 (0.44) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL6685167 0.86 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL337511 0.86 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL10497102 0.85 CYP3A4 (0.44) CYP3A4TSHRTDP1ATML3MBTL1

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
US-10711075-B2 Method of preparing rubber composition including syndiotactic 1,2-polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2020-07-14 US claimed
US-20190023815-A1 METHOD OF PREPARING RUBBER COMPOSITION INCLUDING SYNDIOTACTIC 1,2-POLYBUTADIENE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2019-01-24 US claimed
US-20230231140-A1 BINDER COMPOSITION FOR ALL-SOLID-STATE BATTERY, SLURRY COMPOSITION COMPRISING THE SAME AND ALL-SOLID-STATE BATTERY KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2023-07-20 US disclosed
US-11427700-B2 Method of manufacturing rubber composition KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2022-08-30 US disclosed
US-10711075-B2 Method of preparing rubber composition including syndiotactic 1,2-polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2020-07-14 US disclosed
US-20190023815-A1 METHOD OF PREPARING RUBBER COMPOSITION INCLUDING SYNDIOTACTIC 1,2-POLYBUTADIENE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2019-01-24 US disclosed