SCHEMBL5242147

SCHEMBL5242147

C=CCC(=O)OC(=O)CN(CCCC)CCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
NAAA Q02083 1/20 0.34
HPGD P15428 1/20 0.33
FAAH O00519 1/20 0.33
DNM1 Q05193 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
KDM5A P29375 1/20 0.31
BCHE P06276 2/20 0.31
DGKA P23743 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 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
SCHEMBL25430083 0.86 CA12 (0.45) CA12CA1CA9NAAAFAAH
SCHEMBL176119 0.82 OPRK1 (0.34) TSHRALDH1A1GAA
SCHEMBL7171039 0.82 CA12 (0.42) CA12CA1CA9NAAAFAAH
SCHEMBL5178185 0.77 CA12 (0.41) TSHRCA12CA1CA9NAAA
SCHEMBL11849335 0.77 KDM4E (0.33) HPGDALDH1A1
SCHEMBL9857527 0.75 TSHR (0.58) TSHRFAAHDNM1ALDH1A1DGKA
SCHEMBL1149135 0.74 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL16551768 0.74 TSHR (0.61) TSHRFAAHDNM1ALDH1A1DGKA
SCHEMBL27801536 0.74 TSHR (0.61) TSHRFAAHDNM1ALDH1A1DGKA
SCHEMBL462526 0.73 ALDH1A1 (0.40) TSHRNAAAHPGDALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0992490-B2 Flowable formed methionine products and method for producing the same DEGUSSA (DE) 2007-08-29 EP claimed
EP-0992490-B1 Flowable formed methionine products and method for producing the same DEGUSSA (DE) 2003-05-28 EP claimed