SCHEMBL3670263

SCHEMBL3670263

O=C(O)c1ccc(C2CCC3(CC2)CO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HPGD P15428 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
MLYCD O95822 1/20 0.38
S1PR1 P21453 1/20 0.38
ESR2 Q92731 3/20 0.38
HCAR3 P49019 2/20 0.38
KMO O15229 1/20 0.38
SERPINE1 P05121 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL744889 0.82 IKBKE (0.45) TP53TSHRHDAC1HDAC8HDAC6
SCHEMBL901209 0.80 TSHR (0.57) TP53TSHRHDAC1HDAC8HDAC6
SCHEMBL901207 0.80 TSHR (0.57) TP53TSHRHDAC1HDAC8HDAC6
SCHEMBL2321634 0.80 TSHR (0.57) TP53TSHRHDAC1HDAC8HDAC6
SCHEMBL3497593 0.79 TP53 (0.43) TP53TSHRHDAC1HDAC8HDAC6
SCHEMBL2527130 0.78 SLC18A3 (0.47) KMT2AL3MBTL1
SCHEMBL601935 0.78 ESR2 (0.46) TP53HPGDESR2HTTKMT2A
Hydrochloric Acid SCHEMBL4290507 0.78 TSHR (0.55) TP53TSHRHDAC1HDAC8HDAC6
SCHEMBL3669960 0.78 JAK2 (0.44) TP53TSHRHDAC1HDAC8HDAC6
SCHEMBL22826717 0.77 ESR2 (0.45) TP53TSHRHDAC1HDAC8HDAC6

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
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP 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