SCHEMBL8465750

SCHEMBL8465750

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.33

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
SCHEMBL10065668 0.84 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL23494129 0.82 TSHR (0.47) TSHRHPGD
SCHEMBL23493879 0.81 TSHR (0.41) TSHRHPGD
SCHEMBL10168449 0.80 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL19760880 0.80 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15725513 0.80 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL561301 0.80 TSHR (0.45) TSHRSMN1; SMN2HPGD
SCHEMBL14311149 0.76 TSHR (0.40) TSHRSMN1; SMN2HPGD
SCHEMBL13896949 0.76 TSHR (0.42) TSHRSMN1; SMN2HPGD
SCHEMBL6275105 0.76 TSHR (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990202-A DURABLE, SMEAR-FAST INK FILMS COMPRISING DUAL ENCAPSULATED COLORANT; A PRIMER CORE/SHELL POLYMER COATING A COLORANT (ADHESION) AND AN EXTERIOR CORE/SHELL POLYMER COATING FOR DURABILITY HEWLETT-PACKARD COMPANY (US) 1999-11-23 US disclosed