SCHEMBL29954613

SCHEMBL29954613

CCCCNC(=O)C(C)N1CCCCC1C=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.41
BCHE P06276 1/20 0.40
GAA P10253 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
TSHR P16473 1/20 0.39
METAP2 P50579 1/20 0.38
NAAA Q02083 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAD52 P43351 1/20 0.37
EPHX1 P07099 3/20 0.37
FKBP1A P62942 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL15332462 0.96 TSHR (0.43) TSHRMETAP2NAAARAD52EPHX1
SCHEMBL2559507 0.92 SIGMAR1 (0.40) RENBCHESIGMAR1TSHRMETAP2
SCHEMBL29955496 0.86 SIGMAR1 (0.36) GAASIGMAR1RAD52EPHX1
SCHEMBL2561078 0.86 EPHX2 (0.44) GAASIGMAR1TSHRRAD52USP2
SCHEMBL15332980 0.83 ALDH1A1 (0.41) GAASIGMAR1TSHRNPSR1
SCHEMBL2557932 0.82 EPHX1 (0.41) SIGMAR1EPHX1
SCHEMBL2555121 0.82 HPGD (0.33) GAASIGMAR1EPHX1
SCHEMBL15329588 0.80 XIAP (0.33) SIGMAR1
SCHEMBL15330465 0.80 SIGMAR1 (0.33) SIGMAR1
SCHEMBL15329739 0.80 ALDH1A1 (0.43) SIGMAR1NPSR1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed