SCHEMBL11865601

SCHEMBL11865601

c1ccc(C2c3ccccc3Oc3cccc([Sr]c4cccc5c4C(c4ccccc4)c4ccccc4O5)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
LMNA P02545 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ATM Q13315 2/20 0.38
NISCH Q9Y2I1 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 2/20 0.33
ESR2 Q92731 2/20 0.33
MAPK1 P28482 2/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 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
SCHEMBL11781441 0.80 CYP2C9 (0.44) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL5475173 0.79 CYP2C9 (0.46) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL9407337 0.79 AHR (0.46) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL11855411 0.79 CYP2C9 (0.42) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL40368 0.78 CYP2C9 (0.55) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL11854783 0.77 CYP2C9 (0.41) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL28353930 0.77 CYP2C9 (0.41) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL2885668 0.75 HTT (0.45) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL5500670 0.72 MEN1 (0.41) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL2716093 0.69 CYP2C9 (0.35) CYP2C9LMNAMEN1KMT2AMAPT

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-3966638-A POLYMERIZATION CATALYST HARGIS IVAN GLEN 1976-06-29 US claimed