SCHEMBL28301807

SCHEMBL28301807

CCOC(=O)CCCCCCCCCCC(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
CYP1A2 P05177 1/20 0.59
GAA P10253 2/20 0.57
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
DGKA P23743 1/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 2/20 0.51
PAM P19021 2/20 0.48
USP2 O75604 1/20 0.47

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
SCHEMBL29564911 1.00 TSHR (0.61) TSHRCYP1A2GAAMGAMSI
SCHEMBL14761850 1.00 TSHR (0.61) TSHRCYP1A2GAAMGAMSI
SCHEMBL28303258 1.00 TSHR (0.61) TSHRCYP1A2GAAMGAMSI
SCHEMBL11676417 1.00 TSHR (0.61) TSHRCYP1A2GAAMGAMSI
SCHEMBL3503308 1.00 TSHR (0.61) TSHRCYP1A2GAAMGAMSI
SCHEMBL5271272 1.00 TSHR (0.61) TSHRCYP1A2GAAMGAMSI
SCHEMBL5267890 1.00 TSHR (0.61) TSHRCYP1A2GAAMGAMSI
SCHEMBL31099578 1.00 TSHR (0.61) TSHRCYP1A2GAAMGAMSI
SCHEMBL9118224 0.98 TSHR (0.64) TSHRCYP1A2GAAMGAMSI
SCHEMBL674389 0.98 TSHR (0.64) TSHRCYP1A2GAAMGAMSI

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-109942414-A High temperature resistant super-pressure dicarboxylic acid for electrolyte and its preparation method and application 武汉海斯普林科技发展有限公司 2019-06-28 CN disclosed