SCHEMBL31596331

SCHEMBL31596331

CCCCCCCCOP(O)OCC(CC)CCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CA2 P00918 2/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
RECQL P46063 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL1876193 0.97 PRSS1 (0.42) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL8435978 0.90 LMNA (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL178142 0.89 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL11314098 0.88 PRSS1 (0.45) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL28348841 0.88 CYP3A4 (0.49) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL20658182 0.88 CYP3A4 (0.49) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL29088673 0.84 CYP3A4 (0.46) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL27655927 0.84 CYP3A4 (0.53) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL11311699 0.83 CYP3A4 (0.46) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL10497102 0.81 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120060674-A Extractant, preparation method thereof and application thereof in rare earth element separation 浙江大学 2025-05-30 CN claimed
CN-120060674-A Extractant, preparation method thereof and application thereof in rare earth element separation 浙江大学 2025-05-30 CN disclosed