SCHEMBL10907112

SCHEMBL10907112

CCOCC(=O)OC(C)Br

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10904686 0.83 TRPA1 (0.31) ALDH1A1TRPA1
SCHEMBL5607572 0.82 LMNA (0.47) ALDH1A1LMNATSHRMGAMGAA
SCHEMBL16861340 0.78 USP2 (0.33) ALDH1A1LMNATSHRMGAMGAA
SCHEMBL9937292 0.77 FAAH (0.31) ALDH1A1LMNATSHRMGAMGAA
SCHEMBL11318774 0.77
SCHEMBL7016617 0.77
SCHEMBL9937228 0.74 GAA (0.33) ALDH1A1TSHRGAATDP1
SCHEMBL9936945 0.74 CES2 (0.31)
SCHEMBL11317853 0.73
SCHEMBL7929901 0.73

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-4602012-A Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1986-07-22 US disclosed