SCHEMBL28108587

SCHEMBL28108587

O=C(CCCCC(=O)OS(=O)(=O)O)OS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
DGKA P23743 1/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
CA2 P00918 2/20 0.33
LMNA P02545 5/20 0.32
PAM P19021 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL27476207 0.97 DGKA (0.38) TSHRDGKAFNTAFNTBCA2
Ammonia Solution, Strong SCHEMBL28221049 0.97 TSHR (0.36) TSHRDGKAFNTAFNTBCA2
SCHEMBL9342617 0.89 DGKA (0.52) TSHRDGKACA2LMNAPAM
SCHEMBL362989 0.88 TSHR (0.38) TSHRCA2CA12CA14
SCHEMBL6688849 0.87 DGKA (0.55) TSHRDGKACA2LMNAPAM
SCHEMBL1445754 0.87 DGKA (0.55) TSHRDGKACA2LMNAPAM
SCHEMBL5431993 0.87 DGKA (0.55) TSHRDGKACA2LMNAPAM
SCHEMBL3846923 0.87 DGKA (0.55) TSHRDGKACA2LMNAPAM
SCHEMBL1827580 0.87 DGKA (0.55) TSHRDGKACA2LMNAPAM
SCHEMBL339526 0.87 DGKA (0.55) TSHRDGKACA2LMNAPAM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115939511-A Non-aqueous electrolyte and battery 深圳新宙邦科技股份有限公司 2023-04-07 CN disclosed
CN-108774743-A A kind of preparation method of high emissivity anode oxidation membrane 湖北安登环保科技有限公司 2018-11-09 CN disclosed
CN-106222721-A A kind of preparation method of high emissivity anode oxidation membrane 北京星航机电装备有限公司 2016-12-14 CN disclosed
CN-102675084-A A method for producing adipic acid by using waste polyurethane soles CHANGXIU ZHOU 2012-09-19 CN disclosed