SCHEMBL11065236

SCHEMBL11065236

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL7647932 0.80 USP2 (0.55) USP2LMNAHSD17B10MEN1HPGD
SCHEMBL3282103 0.80 USP2 (0.55) USP2LMNAHSD17B10MEN1HPGD
SCHEMBL1463437 0.77 USP2 (0.52) USP2LMNAHSD17B10MEN1HPGD
SCHEMBL10016881 0.73 USP2 (0.48) USP2LMNAHSD17B10MEN1HPGD
SCHEMBL168730 0.72 TSHR (0.43) USP2LMNAHSD17B10MEN1HPGD
SCHEMBL31356997 0.71 USP2 (0.47) USP2LMNAHSD17B10MEN1HPGD
SCHEMBL11123261 0.68 USP2 (0.43) USP2LMNAHSD17B10MEN1HPGD
SCHEMBL21174044 0.68 TSHR (0.43) USP2LMNAHSD17B10MEN1HPGD
SCHEMBL5399544 0.67 LMNA (0.39) USP2LMNAHSD17B10MEN1HPGD
SCHEMBL11750785 0.67 MEN1 (0.47) USP2LMNAHSD17B10MEN1HPGD

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