SCHEMBL19757635

SCHEMBL19757635

CC(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
EPHX1 P07099 3/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 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
SCHEMBL159994 1.00 HSD11B1 (0.47) HSD11B1GLAL3MBTL1EPHX1CA2
Acetic Acid SCHEMBL27574386 0.95 HSD11B1 (0.44) HSD11B1GLAL3MBTL1EPHX1CA2
SCHEMBL21904429 0.88
SCHEMBL24856804 0.87 HSD11B1 (0.38) HSD11B1GLAL3MBTL1EPHX1CA2
Formic Acid Methyl Ester SCHEMBL27560711 0.85 GLA (0.46) HSD11B1GLAL3MBTL1EPHX1CA2
SCHEMBL5356850 0.84 SMN1; SMN2 (0.50) HSD11B1GLAL3MBTL1ALDH1A1LMNA
SCHEMBL19798637 0.82 CYP2C9 (0.37) HSD11B1GLAL3MBTL1EPHX1CA2
SCHEMBL19808523 0.82 HSD11B1 (0.35) HSD11B1GLAL3MBTL1EPHX1CA2
SCHEMBL6495033 0.80 EPHX2 (0.50) HSD11B1GLAL3MBTL1ALDH1A1EPHX2
SCHEMBL18028880 0.80 HSD11B1 (0.34) HSD11B1GLAL3MBTL1EPHX1CA2

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-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed