SCHEMBL22338189

SCHEMBL22338189

C=CNCC(=O)NCCSCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL22338190 0.80 TSHR (0.41) TSHRCNR1ALDH1A1GAAKMT2A
SCHEMBL25083274 0.78 TSHR (0.40) TSHRCNR1ALDH1A1GAAKMT2A
SCHEMBL22338220 0.77 TSHR (0.45) TSHRALDH1A1GAAKMT2A
SCHEMBL16405258 0.74 GBA1 (0.47) TSHRCNR1ALDH1A1
SCHEMBL16407986 0.70 GBA1 (0.43) TSHRCNR1ALDH1A1
SCHEMBL21235866 0.68 CNR1 (0.45) CNR1ALDH1A1GAAKMT2A
SCHEMBL6871210 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22338143 0.67 KDM4E (0.46) TSHRALDH1A1GAAKMT2A
SCHEMBL23627012 0.65 DNM1 (0.50) TSHRALDH1A1KMT2A
SCHEMBL19672577 0.64

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
WO-2020163594-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 WO disclosed