SCHEMBL14019262

SCHEMBL14019262

COC(=O)C(C)CCCN

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
CPB2 Q96IY4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GSR P00390 1/20 0.34
CA14 Q9ULX7 1/20 0.34
FOLH1 Q04609 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
PAOX Q6QHF9 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL10039149 1.00 GABRR1 (0.41) GABRR1CA1CA2CYP1A2ZDHHC7
Ammonia Solution, Strong SCHEMBL6014826 0.98 GABRR1 (0.40) GABRR1CA1CA2CYP1A2ZDHHC7
SCHEMBL27585630 0.98 GABRR1 (0.40) GABRR1CA1CA2CYP1A2ZDHHC7
SCHEMBL15198814 0.94 CPB2 (0.43) GABRR1CA1CA2CYP1A2ZDHHC7
SCHEMBL11921813 0.94 CPB2 (0.43) GABRR1CA1CA2CYP1A2ZDHHC7
SCHEMBL21782575 0.92 CPB2 (0.46) GABRR1CA1CA2ZDHHC7CPB2
SCHEMBL30910747 0.86
SCHEMBL30910817 0.86
SCHEMBL3392469 0.86
SCHEMBL13640440 0.86 CA1 (0.45) CA1CA2ZDHHC7SMN1; SMN2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116601488-A Method and consumer product for detecting metabolites 金伯利-克拉克环球有限公司 2023-08-15 CN disclosed
CN-116507349-A Probiotic bacillus compositions and methods of use 生物编辑有限责任公司 2023-07-28 CN disclosed
CN-116490772-A Method and consumer product for detecting metabolites 金伯利-克拉克环球有限公司 2023-07-25 CN disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
CN-1458842-A Cell activator SHISEIDO CO LTD (JP) 2003-11-26 CN disclosed