SCHEMBL3674439

SCHEMBL3674439

CC(C)(C)OC(=O)C[C]1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
EPHX1 P07099 2/20 0.35
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
GAA P10253 1/20 0.33
RORC P51449 1/20 0.32
CTSK P43235 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL27692814 0.98 MTNR1A (0.39) MTNR1AMTNR1BEPHX1TP53HPGD
SCHEMBL27859622 0.81 HRH3 (0.35) MTNR1AMTNR1BEPHX1TP53HPGD
SCHEMBL28014498 0.77 CYP4F2 (0.42) TP53ALDH1A1GAA
SCHEMBL10916991 0.74 CYP4F2 (0.44) TP53ALDH1A1GAA
SCHEMBL5401319 0.73 MGAM (0.44) ALDH1A1KMT2AGAACA12CA2
SCHEMBL7976967 0.73 POLB (0.32) ALDH1A1KMT2A
SCHEMBL28018812 0.72 EPHX1 (0.49) EPHX1ALDH1A1KMT2AGAACA12
SCHEMBL11066828 0.71 MGAM (0.46) ALDH1A1KMT2AGAACA12CA2
SCHEMBL27456435 0.71 ALDH1A1 (0.38) TP53HPGDALDH1A1KMT2A
SCHEMBL5233094 0.68 ACHE (0.35) EPHX1TP53HPGDALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
CN-102365273-A Thiadiazole and oxadiazole derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-02-29 CN disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed