SCHEMBL2640848

SCHEMBL2640848

O=C(O)CC1(c2cccc(CO)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.43
TSHR P16473 3/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
FFAR1 O14842 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ENPP2 Q13822 1/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL29112417 0.86 TSHR (0.39) HSD11B1TSHROPRM1OPRD1OPRK1
SCHEMBL30626434 0.86 TSHR (0.39) HSD11B1TSHROPRM1OPRD1OPRK1
SCHEMBL15513651 0.79 ALDH1A1 (0.47) HSD11B1TSHROPRM1OPRD1SMN1; SMN2
SCHEMBL27347345 0.79 KMT2A (0.49) HSD11B1TSHROPRM1OPRD1OPRK1
SCHEMBL1361875 0.79 TSHR (0.58) HSD11B1TSHROPRM1SMN1; SMN2KMT2A
SCHEMBL2636427 0.78 TSHR (0.38) HSD11B1TSHR
SCHEMBL4242183 0.73 HSD11B1 (0.65) HSD11B1TSHROPRM1
SCHEMBL9466435 0.73 SLC6A4 (0.56) HSD11B1TSHRCNR2
SCHEMBL4242554 0.73 SMN1; SMN2 (0.54) HSD11B1TSHRSMN1; SMN2
SCHEMBL627858 0.73 HSD11B1 (0.60) HSD11B1TSHROPRM1KMT2AMEN1

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-2768826-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-08-27 EP disclosed
WO-2013057101-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-25 WO disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed