SCHEMBL10892018

SCHEMBL10892018

CC(=O)OC(CC(=O)Cl)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13326291 1.00 TSHR (0.39) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL5200741 0.79 TSHR (0.40) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL3143929 0.78 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27466073 0.76 TSHR (0.31) TSHR
SCHEMBL9656495 0.76 TSHR (0.42) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL23779934 0.76 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5349785 0.76 TSHR (0.42) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL712304 0.76 TDP1 (0.48) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL5349776 0.76 TSHR (0.42) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL23779935 0.76 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4601889-A ADSORPTION BY AN ACRYLIC POLYMER, URANIUM FROM SEAWATER UBE INDUSTRIES, LTD. (JP) 1986-07-22 US claimed
US-4018797-A Intermediates for prostaglandins THE DOW CHEMICAL COMPANY (US) 1977-04-19 US claimed
JP-59083729-A None JP disclosed
US-4601889-A ADSORPTION BY AN ACRYLIC POLYMER, URANIUM FROM SEAWATER UBE INDUSTRIES, LTD. (JP) 1986-07-22 US disclosed
JP-S5983729-A RECOVERY OF HEAVY METAL UBE IND LTD 1984-05-15 JP disclosed
US-4018797-A Intermediates for prostaglandins THE DOW CHEMICAL COMPANY (US) 1977-04-19 US disclosed