SCHEMBL1469403

SCHEMBL1469403

O=C(O)C=CCCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GABRR1 P24046 2/20 0.38
GABRR2 P28476 2/20 0.38
BLM P54132 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
LMNA P02545 1/20 0.38
APEX1 P27695 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TBXAS1 P24557 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
SCHEMBL1469682 0.78
SCHEMBL10589816 0.77 HTT (0.35) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL10550211 0.77 TBXA2R (0.36) TSHRGABRR1GABRR2BLMGABRR3
Fumaric Acid SCHEMBL28383378 0.77 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL1051915 0.76 MGLL (0.47) TP53ALDH1A1
SCHEMBL7160443 0.76 CA2 (0.39) NPSR1ALDH1A1TBXAS1
SCHEMBL7162136 0.76 CA2 (0.39) NPSR1ALDH1A1TBXAS1
SCHEMBL480370 0.73 TSHR (0.37) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL11041069 0.73 MGLL (0.44) ALDH1A1
SCHEMBL9825991 0.73 GABRR1 (0.33) TSHRGABRR1GABRR2BLMGABRR3

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-8486601-B2 Toner for electrostatic latent image development and image forming method KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-07-16 US disclosed
US-20110070535-A1 TONER FOR ELECTROSTATIC LATENT IMAGE DEVELOPMENT AND IMAGE FORMING METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2011-03-24 US disclosed
EP-0212409-B1 PROCESS FOR THE PREPARATION OF 2-OXO-1,3-DIOXOLANES HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-21 EP disclosed