SCHEMBL28052200

SCHEMBL28052200

CCCCOOC(C)(C)OC(=O)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ATM Q13315 1/20 0.41
TSHR P16473 6/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
HCAR2 Q8TDS4 1/20 0.37
NAAA Q02083 1/20 0.36
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 1/20 0.34
ESR1 P03372 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34

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
SCHEMBL28269818 0.97 NAAA (0.42) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL28037179 0.95 NAAA (0.44) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL28268150 0.95 ALDH1A1 (0.38) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL28187359 0.94 ALDH1A1 (0.39) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL28065110 0.92 ACHE (0.40) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL28132615 0.91 ALDH1A1 (0.40) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL131236 0.91 ALDH1A1 (0.39) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL28141874 0.90 ALDH1A1 (0.37) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL28187989 0.89 ALDH1A1 (0.34) ALDH1A1ATMTSHRTDP1L3MBTL1
SCHEMBL27677681 0.88 ALDH1A1 (0.36) ALDH1A1ATMTSHRTDP1L3MBTL1

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-102471553-B Fluorine-containing copolymer composition and method for producing same ASAHI GLASS CO.,LTD. (JP) 2016-02-10 CN disclosed