SCHEMBL27979299

SCHEMBL27979299

CCCCOC(=O)C(=O)OC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
ALDH1A1 P00352 1/20 0.50
TSHR P16473 5/20 0.48
HPGD P15428 1/20 0.48
HCAR2 Q8TDS4 3/20 0.46
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
RAD52 P43351 1/20 0.39
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL10355785 0.94 TSHR (0.53) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL28787473 0.84 ALDH1A1 (0.67) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL137155 0.84 ALDH1A1 (0.67) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL5501929 0.84 ALDH1A1 (0.67) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL28131973 0.82 ALDH1A1 (0.64) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL5501926 0.82 ALDH1A1 (0.64) ATMALDH1A1TSHRHPGDHCAR2
Fluoride SCHEMBL3958324 0.82 ALDH1A1 (0.64) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL6847846 0.81 ATM (0.54) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL1979194 0.80 TSHR (0.65) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL1070844 0.80 ALDH1A1 (0.61) 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-103965436-A Manufacturing method of resin cured product, and resin cured product NIPPON CARBIDE KOGYO KK 2014-08-06 CN disclosed