SCHEMBL30953673

SCHEMBL30953673

COCC1(COC)CC(=O)c2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 8/20 0.37
TDP2 O95551 1/20 0.35
RAD52 P43351 1/20 0.34
ATM Q13315 1/20 0.34
HTR2C P28335 1/20 0.34
CYP26A1 O43174 1/20 0.34

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
SCHEMBL3592481 1.00 ALDH1A1 (0.45) ALDH1A1LMNACRHBPHTTCRHR2
SCHEMBL2318941 0.85 ALDH1A1 (0.42) ALDH1A1LMNACRHBPHTTCRHR2
SCHEMBL30953797 0.85 ALDH1A1 (0.42) ALDH1A1LMNACRHBPHTTCRHR2
SCHEMBL2321310 0.84 ALDH1A1 (0.40) ALDH1A1LMNACRHBPHTTCRHR2
SCHEMBL30953863 0.84 ALDH1A1 (0.40) ALDH1A1LMNACRHBPHTTCRHR2
SCHEMBL3586413 0.80
SCHEMBL3586417 0.80
SCHEMBL30953811 0.78 ALDH1A1 (0.61) ALDH1A1LMNACRHBPHTTCRHR2
SCHEMBL1451122 0.78 ALDH1A1 (0.61) ALDH1A1LMNACRHBPHTTCRHR2
SCHEMBL2319570 0.77 ALDH1A1 (0.43) ALDH1A1LMNACRHBPHTTCRHR2

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
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed