SCHEMBL20103706

SCHEMBL20103706

CNC(=O)C12CCC(C)(CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 2/20 0.32
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL4449130 0.86 THRB (0.37) THRBPKMRAB9ATSHRHSD17B10
SCHEMBL25975362 0.83 RAB9A (0.50) THRBPKMRAB9ATSHRHSD17B10
SCHEMBL12858249 0.81 RAB9A (0.53) THRBPKMRAB9ATSHRHSD17B10
SCHEMBL18738961 0.74 CYP3A4 (0.47) RAB9ATSHRHSD17B10SMN1; SMN2CYP3A4
SCHEMBL18738957 0.74 RAB9A (0.47) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL13085453 0.73 FFAR3 (0.43) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL12763620 0.73 PKM (0.42) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL24920135 0.73 TSHR (0.40) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL31645542 0.72 THRB (0.33) THRB
SCHEMBL28878952 0.71 THRB (0.35) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021052934-A1 OPTICAL PH SENSOR Abberior GmbH (DE) 2021-03-25 WO disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed