SCHEMBL7719165

SCHEMBL7719165

O=C(NCC1C2CC3CC(C2)CC1C3)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA3 P07451 2/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CA5B Q9Y2D0 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ EPHX2 P34913 3/20 0.36
▸ EPHX1 P07099 1/20 0.34

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
SCHEMBL11076676 0.76 HSD11B1 (0.54) HSD11B1EPHX2
SCHEMBL21376619 0.75 HSD11B1 (0.47) HSD11B1ALDH1A1EPHX2
SCHEMBL14503294 0.71 L3MBTL1 (0.52) HSD11B1KMT2AEPHX2EPHX1
SCHEMBL24105897 0.70 HSD11B1 (0.42) HSD11B1EPHX2
SCHEMBL27643099 0.70 ALDH1A1 (0.43) HSD11B1ALDH1A1KMT2AEPHX2
SCHEMBL9431190 0.70 TDP1 (0.52) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL12994524 0.70 HSD11B1 (0.33) HSD11B1EPHX2
SCHEMBL11100497 0.69 HSD11B1 (0.34) HSD11B1EPHX2EPHX1
SCHEMBL19909922 0.69 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL11181398 0.68 HSD11B1 (0.37) HSD11B1CA3CA5ACA5BEPHX2

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-6409909-B1 MULTIDIMENSIONAL SYSTEM FOR THE REAGENT-FREE, CONTINUOUS DETECTION OF A SUBSTANCE; AMPEROMETRY AND OPTICAL SENSORS; EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2002-06-25 — — US disclosed
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