SCHEMBL19557166

SCHEMBL19557166

O=C(O)C12CC3C[C@H](C1)C[C@@H](C3)C2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 2/20 0.44
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
GLA P06280 1/20 0.43
P2RX7 Q99572 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41

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
SCHEMBL12714 1.00 HSD11B1 (0.48) HSD11B1L3MBTL1PKMHTTKDM4E
SCHEMBL19557168 1.00 HSD11B1 (0.48) HSD11B1L3MBTL1PKMHTTKDM4E
SCHEMBL11460245 0.97 HSD11B1 (0.46) HSD11B1L3MBTL1PKMHTTKDM4E
SCHEMBL5487496 0.97 HSD11B1 (0.46) HSD11B1L3MBTL1PKMHTTKDM4E
SCHEMBL5489644 0.97 HSD11B1 (0.46) HSD11B1L3MBTL1PKMHTTKDM4E
SCHEMBL4389277 0.97 HSD11B1 (0.46) HSD11B1L3MBTL1PKMHTTKDM4E
SCHEMBL5487136 0.97 HSD11B1 (0.46) HSD11B1L3MBTL1PKMHTTKDM4E
SCHEMBL5489940 0.97 HSD11B1 (0.46) HSD11B1L3MBTL1PKMHTTKDM4E
Hydrochloric Acid SCHEMBL1061147 0.97 L3MBTL1 (0.50) HSD11B1L3MBTL1PKMHTTKDM4E
SCHEMBL4947026 0.97 HSD11B1 (0.46) HSD11B1L3MBTL1PKMHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809586-B2 Inhibitors of collagen prolyl 4-hydroxylase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-11-07 US disclosed