SCHEMBL28066915

SCHEMBL28066915

C=C(C)C(=O)ONCCCl

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.34
FAAH O00519 1/20 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
SCHEMBL5381822 0.81 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL9347857 0.81 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL7153803 0.81 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL28191775 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTDP1THRB
Bromide SCHEMBL28301716 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL4449709 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL9347712 0.78 ALDH1A1 (0.43) ALDH1A1TSHRTDP1THRB
SCHEMBL4609619 0.78 TSHR (0.48) ALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL8678387 0.78 ALDH1A1 (0.43) ALDH1A1TSHRTDP1THRB
SCHEMBL11238314 0.76 ALDH1A1 (0.41) ALDH1A1TSHRTHRB

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-105713086-A Generic methylation and dimethylation antibody and preparation method thereof 复旦大学 2016-06-29 CN claimed
CN-105713086-A Generic methylation and dimethylation antibody and preparation method thereof 复旦大学 2016-06-29 CN disclosed