SCHEMBL11042301

SCHEMBL11042301

CCN(CC)CCNC=CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ SLC22A2 O15244 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PAOX Q6QHF9 1/20 0.35
▸ BLM P54132 2/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ NFKB1 P19838 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 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
Fumaric Acid SCHEMBL10410599 0.80 ALDH1A1 (0.61) ALDH1A1LMNAKMT2AACHESLC22A2
Maleic Acid SCHEMBL10410598 0.80 ALDH1A1 (0.61) ALDH1A1LMNAKMT2AACHESLC22A2
SCHEMBL3279314 0.77 — —
SCHEMBL17671068 0.76 TSHR (0.44) ALDH1A1LMNAKMT2ATSHRCYP2C19
SCHEMBL3283014 0.74 ADH1B (0.48) ACHETDP1THRBCYP1A2
SCHEMBL2364898 0.72 EPHX1 (0.50) THRB
SCHEMBL1566984 0.72 EPHX1 (0.50) THRB
SCHEMBL3057444 0.72 — —
SCHEMBL322851 0.72 — —
Fumaric Acid SCHEMBL5152411 0.71 ALDH1A1 (0.53) ALDH1A1LMNATSHRBLMTDP1

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
EP-0015116-B1 PROCESS FOR THE PRODUCTION OF FATTY ACID SOAPS FROM SLUDGE BY EXTRACTION AND SUBSEQUENT SAPONIFYING UNILEVER N.V. (NL) 1984-04-18 — — EP disclosed
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