SCHEMBL28101249

SCHEMBL28101249

CCC(CC)CCCCCS

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
FOLH1 Q04609 2/20 0.34
GSTK1 Q9Y2Q3 1/20 0.32
CA2 P00918 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ENPEP Q07075 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL28101180 0.97 ALDH1A1 (0.40) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL18159958 0.90 GSTK1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5932314 0.88
SCHEMBL8883429 0.87 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4609896 0.87 ALDH1A1 (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4610380 0.87 ALDH1A1 (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL1110043 0.87 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL7752029 0.87 ALDH1A1 (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4608593 0.87 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL25751411 0.87 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985774-B The application of nanocrystalline-ligand complex, preparation method, printing material and printing material 纳晶科技股份有限公司 2019-05-28 CN claimed
CN-105985774-A Nanocrystalline-ligand compound, preparation method of nanocrystalline-ligand compound, printing material and use of printing material 纳晶科技股份有限公司 2016-10-05 CN claimed
CN-105985774-B The application of nanocrystalline-ligand complex, preparation method, printing material and printing material 纳晶科技股份有限公司 2019-05-28 CN disclosed
CN-105985774-A Nanocrystalline-ligand compound, preparation method of nanocrystalline-ligand compound, printing material and use of printing material 纳晶科技股份有限公司 2016-10-05 CN disclosed