SCHEMBL20078624

SCHEMBL20078624

CC(C)C1C2CC(=O)C[C@H]21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NISCH Q9Y2I1 1/20 0.32

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
SCHEMBL19241405 1.00 MAPK1 (0.37) MAPK1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5077931 0.73 MAPK1 (0.39) MAPK1MEN1KMT2A
SCHEMBL5077933 0.73 MAPK1 (0.39) MAPK1MEN1KMT2A
SCHEMBL5077934 0.73 MAPK1 (0.39) MAPK1MEN1KMT2A
SCHEMBL1089769 0.73
SCHEMBL918389 0.69 MAPK1 (0.41) MAPK1MEN1KMT2A
SCHEMBL8348683 0.67
SCHEMBL13286401 0.66 HSD11B1 (0.30)
SCHEMBL8344708 0.65 SMN1; SMN2 (0.38) MAPK1MEN1KMT2A
SCHEMBL12844775 0.65

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-9950983-B2 Tricyclic compounds and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed