SCHEMBL11065243

SCHEMBL11065243

COC(=O)CC(CC(=O)OC)(OCl)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TET2 Q6N021 1/20 0.34
RECQL P46063 1/20 0.33
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GLA P06280 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
SCHEMBL2830033 0.82 TSHR (0.42) TSHRHSD17B10MGAMGAASI
Ammonia Solution, Strong SCHEMBL1306802 0.80 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL3282107 0.80 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL10011332 0.77 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL242271 0.77 GAA (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL2420651 0.77 USP2 (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL2905563 0.75 USP2 (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL10011809 0.75 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL10010665 0.74 TSHR (0.34) TSHRHSD17B10MGAMGAASI
SCHEMBL17050951 0.74 TSHR (0.34) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443619-A MULTISTEP PREPARATION OF MONOPOTASSIUM DIHYDROGEN THREO-EPOXYACONITATE FROM TRANSACONITIC ACID HOFFMANN-LA ROCHE INC. (US) 1984-04-17 US disclosed
US-4365070-A B-LACTONE INTERMEDIATES THEREOF, ANORECTIC AGENTS FOR TREATMENT OBESITY HOFFMANN-LA ROCHE INC. (US) 1982-12-21 US disclosed
US-4354039-A Chlorocitric acids HOFFMANN-LA ROCHE INC. (US) 1982-10-12 US disclosed
US-4352758-A FROM TRANS-ACONITIC ACID HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US disclosed
US-4340754-A Process for making chlorocitric acid HOFFMANN-LA ROCHE INC. (US) 1982-07-20 US disclosed
US-4312885-A ANORECTIC AGENTS FOR TREATMENT OF OBESITY HOFFMANN-LA ROCHE INC. (US) 1982-01-26 US disclosed