SCHEMBL28065386

SCHEMBL28065386

CC=C(C(=O)OCCCC)C(O)CC

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 3/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
NAAA Q02083 1/20 0.40

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
SCHEMBL28065384 0.93 TSHR (0.50) TSHRHCAR2NAAA
SCHEMBL16160127 0.81 ATM (0.48) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL27817802 0.79 ATM (0.46) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL1455524 0.77 ALDH1A1 (0.54) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL8469192 0.77 ALDH1A1 (0.54) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL13256196 0.77 ALDH1A1 (0.54) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL13517554 0.76 ATM (0.43) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL5453725 0.76 HCAR2 (0.46) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL16159987 0.75 TSHR (0.53) ATMALDH1A1TSHRHCAR2NAAA
SCHEMBL13519364 0.73 ATM (0.41) ATMALDH1A1TSHRHPGDHCAR2

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
CN-103732689-B Light-cured type organic inorganic hybridization resin combination DONGJIN SEMICHEM CO.,LTD. (KR) 2016-05-18 CN disclosed