SCHEMBL17145405

SCHEMBL17145405

COC(=O)C1=C[C@H](C)C[C@H]2CC(c3ccccc3)C=C12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
GRIN2B Q13224 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM1A O60341 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HDAC4 P56524 1/20 0.33
ACHE P22303 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL461375 1.00 ATM (0.36) ATMTSHRGRIN2BKMT2AMEN1
SCHEMBL17145406 0.79 PSEN1 (0.34) TSHRSLC6A3
SCHEMBL459862 0.79 PSEN1 (0.34) TSHRSLC6A3
SCHEMBL17145432 0.78 ATM (0.40) ATMSLC6A3KDM1AALDH1A1HDAC4
SCHEMBL459352 0.78 ATM (0.40) ATMSLC6A3KDM1AALDH1A1HDAC4
SCHEMBL17145407 0.71 SLC6A3 (0.32) ATMKMT2AMEN1SLC6A3ALDH1A1
SCHEMBL459785 0.71 SLC6A3 (0.32) ATMKMT2AMEN1SLC6A3ALDH1A1
SCHEMBL818821 0.71 TSHR (0.35) ATMTSHRSLC6A3POLBLMNA
SCHEMBL460975 0.71 SLC6A3 (0.32) SLC6A3LMNA
SCHEMBL15393959 0.62 SMN1; SMN2 (0.40) ATMALDH1A1HDAC4SMN1; SMN2NPSR1

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-9150531-B2 Tricyclic lactones for treatment of cancer GLACTONE PHARMA DEVELOPMENT AB (SE) 2015-10-06 US disclosed