SCHEMBL7649338

SCHEMBL7649338

COC(=O)COP(=O)(CCCBr)OCC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
PPARD Q03181 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL7644146 0.82 TSHR (0.47) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7650101 0.80 TSHR (0.34) TSHRPPARDHSD17B10MGAMGAA
SCHEMBL11203182 0.72 TSHR (0.52) TSHRPPARDMEN1KMT2AALDH1A1
SCHEMBL321312 0.71 PPARD (0.54) TSHRPPARD
SCHEMBL10011234 0.71 TSHR (0.39) TSHRPPARDHSD17B10MGAMGAA
SCHEMBL1660257 0.71 FAAH (0.32)
SCHEMBL10395205 0.69 TSHR (0.60) TSHRPPARDHSD17B10MGAMGAA
SCHEMBL15951711 0.69 TSHR (0.48) TSHRALDH1A1LMNA
SCHEMBL28336971 0.69 TSHR (0.48) TSHRPPARDKMT2AALDH1A1LMNA
SCHEMBL10067496 0.69 TPI1 (0.54) TSHRHSD17B10MGAMGAASI

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
WO-2002008235-A1 MEDICAMENT FOR ORAL APPLICATION, CONTAINING AMINOPROPYL PHOSPHONIC ACID ESTERS AS AN ACTIVE INGREDIENT JOMAA PHARMAKA GMBH (DE) 2002-01-31 WO disclosed