SCHEMBL9735772

SCHEMBL9735772

CC1(C)OCC(CC[C@@H]2CC(=O)N2NC(=O)COc2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
HTR1A P08908 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALK Q9UM73 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
NAMPT P43490 3/20 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
SCHEMBL9740476 0.73 ALDH1A1 (0.32) TMEM97SIGMAR1
SCHEMBL8991213 0.73 GAA (0.52) MAPTGAATP53LMNAPOLB
SCHEMBL7964858 0.70 ADRA1B (0.49) TMEM97SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL9738423 0.67 ALDH1A1 (0.40) MAPTTP53POLBSMN1; SMN2
SCHEMBL8472442 0.67 SMN1; SMN2 (0.55) MAPTGAALMNASMN1; SMN2HTT
SCHEMBL22710272 0.67 TDP1 (0.59) MAPTTMEM97SIGMAR1HTR1AADRA1D
SCHEMBL10886269 0.67 MAPT (0.48) MAPTGAATP53LMNAPOLB
SCHEMBL10367463 0.64 TMEM97 (0.47) TMEM97SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL25417926 0.63 TMEM97 (0.49) MAPTTMEM97SIGMAR1LMNANAMPT
SCHEMBL8994562 0.63 TDP1 (0.53) MAPTHTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5138050-A 6-amido-1-methyl carbapenems MERCK & CO., INC. (US) 1992-08-11 US disclosed
WO-1990000170-A1 NOVEL 6-AMIDO-1-METHYLCARBAPENEMS MERCK & CO., INC. (US) 1990-01-11 WO disclosed
EP-0350211-A2 Novel 6-amido-1-methyl carbapenems MERCK & CO. INC. (US) 1990-01-10 EP disclosed