SCHEMBL27745282

SCHEMBL27745282

C=CC(=O)OS(=O)(=O)CCN.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
SLC6A6 P31641 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
TSHR P16473 6/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2724146 0.98 LMNA (0.36) LMNASLC6A6CYP2C19BLMTSHR
Ammonia Solution, Strong SCHEMBL22361180 0.96 LMNA (0.34) LMNASLC6A6CYP2C19BLMTSHR
SCHEMBL5431583 0.80 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5873255 0.79 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2210406 0.78 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10483633 0.77 TSHR (0.48) LMNATSHRALDH1A1TP53HIF1A
SCHEMBL149403 0.77 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5873272 0.76 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5873271 0.76 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11241895 0.76 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4

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-101341239-A Rheology modifier/hair styling resin ISP INVESTMENTS INC (US) 2009-01-07 CN disclosed