SCHEMBL6418841

SCHEMBL6418841

CCC(C(C)O)C(O)C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.33
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPR84 Q9NQS5 3/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30

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
SCHEMBL6409041 0.84 TP53 (0.36) TP53TSHRCA2MAPK1CHRM1
SCHEMBL12951567 0.77 TP53 (0.60) TP53TSHRALDH1A1
SCHEMBL17201489 0.76 TP53 (0.41) TP53TSHRCA2MAPK1CHRM1
SCHEMBL17795738 0.76 TP53 (0.41) TP53TSHRCA2MAPK1CHRM1
SCHEMBL9746944 0.76 TP53 (0.41) TP53TSHRCA2MAPK1CHRM1
SCHEMBL25107003 0.76 TP53 (0.41) TP53TSHRCA2MAPK1CHRM1
SCHEMBL8036456 0.76 TP53 (0.41) TP53TSHRCA2MAPK1CHRM1
SCHEMBL16074874 0.75 TSHR (0.44) TSHRTDP1
SCHEMBL5065017 0.74 TP53 (0.39) TP53TSHRCA2MAPK1CHRM1
SCHEMBL3500900 0.73 TP53 (0.36) TP53CA2MAPK1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602727-A2 Novel erythromycins and process for their preparation Biotica Technology Limited (GB) 2005-12-07 EP disclosed
EP-0909327-B1 ERYTHROMYCINS AND PROCESS FOR THEIR PREPARATION BIOTICA TECH LTD (GB) 2005-06-01 EP disclosed