SCHEMBL13615583

SCHEMBL13615583

CC(=O)O[C@H](C(N)=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
TBXA2R P21731 1/20 0.37
BLM P54132 2/20 0.35
MAPT P10636 2/20 0.35
GALR3 O60755 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 3/20 0.33
ALOX15 P16050 1/20 0.33
PMP22 Q01453 1/20 0.33
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 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
SCHEMBL25763520 1.00 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28652971 0.87 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10293082 0.78 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1803735 0.77 MMP1 (0.56) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1801250 0.77 MMP1 (0.56) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16286974 0.77 MMP1 (0.56) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL26116561 0.75 MMP1 (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10753326 0.75 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL19604364 0.75 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17352445 0.74

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-2009143485-A1 DIAZONAMIDE ANALOGS JOYANT PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed