SCHEMBL28949263

SCHEMBL28949263

CCC(CCC(C)O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL4890056 0.91 TSHR (0.47) TSHRLMNATDP1ALDH1A1
SCHEMBL27857442 0.84 TSHR (0.43) TSHRLMNATDP1
SCHEMBL423939 0.83 TSHR (0.47) TSHRLMNATDP1ALDH1A1
SCHEMBL4889479 0.82 TSHR (0.41) TSHRLMNA
SCHEMBL14036720 0.81 TSHR (0.45) TSHRLMNATDP1ALDH1A1
SCHEMBL3105781 0.80
SCHEMBL16323429 0.79 TSHR (0.56) TSHRLMNATDP1ALDH1A1
SCHEMBL4889295 0.79 TSHR (0.43) TSHRLMNATDP1
SCHEMBL20577887 0.79 LMNA (0.50) TSHRLMNATDP1ALDH1A1
SCHEMBL13062787 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697720-A Refined product 艾克洛股份公司 2023-02-03 CN disclosed