SCHEMBL28239204

SCHEMBL28239204

C=CC(=O)OCC(C)COC(=O)/C=C\C(=O)OCC(C)COC(=O)C=C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.67
HPGD P15428 2/20 0.44
ALDH1A1 P00352 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 5/20 0.38
ATM Q13315 1/20 0.38
THRB P10828 2/20 0.37
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35

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
SCHEMBL8965855 0.94 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28029412 0.93 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27664150 0.87 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12266938 0.86 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25822500 0.86 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6678990 0.85 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL31059272 0.85 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28655095 0.84 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL33527913 0.84 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1131726 0.84 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A

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-105175315-B Photo-corrosion-resisting agent composition 巴斯夫欧洲公司 2018-08-28 CN disclosed