SCHEMBL9828007

SCHEMBL9828007

CC(=O)OCOC(C)C(OC(C)=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2562191 0.74 TSHR (0.38) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL2254844 0.74
SCHEMBL10422950 0.72 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL8706061 0.72 ALDH1A1 (0.53) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL16075606 0.72 TSHR (0.55) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL7785079 0.68
SCHEMBL7785077 0.68
SCHEMBL14963619 0.66 ALDH1A1 (0.46) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL9019766 0.66 TSHR (0.36) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL14478574 0.66 TDP1 (0.56) TSHRTDP1CHRM2CHRM4CHRM1

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
EP-0217207-B1 2-AMINO PURINES SUBSTITUTED IN POSITIONS 6 AND 9, THEIR USE, MEDICAMENTS CONTAINING THESE PURINES AND PROCESSES FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-10 EP disclosed