SCHEMBL4265993

SCHEMBL4265993

COC(C)(C)CC(C)=O.COCCOC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL557272 0.91
SCHEMBL3932503 0.78 GAA (0.39) ALDH1A1TSHRTDP1MGAMGAA
SCHEMBL20356251 0.77 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL9591047 0.75
SCHEMBL21385254 0.74 CA2 (0.32) ALDH1A1TSHRMGAMGAASI
Pyridine SCHEMBL15456428 0.74 TSHR (0.33) ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL9129137 0.72 ALDH1A1 (0.35) ALDH1A1TSHRTDP1MGAMGAA
Acetone SCHEMBL8319174 0.71 LMNA (0.46) ALDH1A1TSHRTDP1MGAMGAA
SCHEMBL2792859 0.70
SCHEMBL28519711 0.70 GAA (0.38) ALDH1A1TSHRTDP1MGAMGAA

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
US-20090116874-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND METHOD FOR IMAGE FORMATION USING SAID ELECTROPHOTOGRAPHIC PHOTORECEPTOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-05-07 US disclosed