SCHEMBL28876330

SCHEMBL28876330

C=CCNC(CCCC)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ACHE P22303 1/20 0.30
BACE1 P56817 1/20 0.30
CA1 P00915 4/20 0.30
CA2 P00918 4/20 0.30
MMP1 P03956 3/20 0.30
MMP7 P09237 3/20 0.30
MMP12 P39900 3/20 0.30
MMP13 P45452 3/20 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
SCHEMBL11140902 0.89 FAAH (0.33) FAAHALDH1A1CA1CA2
SCHEMBL1119819 0.82 FAAH (0.31) FAAH
SCHEMBL11801865 0.78 TP53 (0.42) ALDH1A1TP53TSHRDPP7CA1
SCHEMBL27662774 0.75 ZDHHC20 (0.46) FAAHHPGDTP53ZDHHC20ZDHHC2
SCHEMBL6425683 0.72 ALDH1A1 (0.39) FAAHALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL28887000 0.71 TP53 (0.44) TP53CA1CA2
SCHEMBL10834575 0.71 TSHR (0.39) FAAHALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL21623888 0.71 CA2 (0.40) TP53DPP7CA1CA2
SCHEMBL22551588 0.71 TP53 (0.42) ALDH1A1TP53TSHRDPP7CA1
SCHEMBL2363865 0.71 ALDH1A1 (0.42) FAAHALDH1A1MAPTSMN1; SMN2TSHR

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-110114049-A For handling the oxidising composition comprising scleroglucan glue and the chelating agent based on phosphorus of keratin fiber 欧莱雅 2019-08-09 CN disclosed