SCHEMBL28575842

SCHEMBL28575842

O=C(C(Cl)Cl)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.44
HSD11B1 P28845 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
GLA P06280 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 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
SCHEMBL2526511 0.82 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10HSD11B1L3MBTL1
SCHEMBL19718856 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10HSD11B1L3MBTL1
SCHEMBL1082701 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10HSD11B1L3MBTL1
SCHEMBL26081355 0.74 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10HSD11B1L3MBTL1
SCHEMBL133056 0.74 HSD11B1 (0.48) ALDH1A1MAPTHSD11B1L3MBTL1HTT
SCHEMBL11635652 0.73 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10EPHX1
SCHEMBL4474350 0.73 HSD17B10 (0.54) ALDH1A1MAPTHSD17B10HSD11B1L3MBTL1
SCHEMBL14801937 0.73 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10HSD11B1L3MBTL1
SCHEMBL28927363 0.73 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10HSD11B1L3MBTL1
SCHEMBL3821724 0.72 LMNA (0.50) ALDH1A1MAPTHSD17B10LMNAITGB1

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-112961043-B Solvent-free preparation of alpha, alpha-dichloroketone 重庆医科大学 2023-06-23 CN disclosed
CN-112961043-A Preparation of alpha, alpha-dichloroketone under solvent-free condition 重庆医科大学 2021-06-15 CN disclosed