SCHEMBL8676376

SCHEMBL8676376

CC=CC(=O)c1ccc(OCC(O)CNC(C)(C)C)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
ADRB3 P13945 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ACHE P22303 1/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL8438167 0.85 TSHR (0.56) KDM4EPOLBMEN1KMT2ATAAR1
SCHEMBL3440495 0.79 MAPT (0.64) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3440494 0.79 MAPT (0.64) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL30383352 0.79 MAPT (0.64) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL8675291 0.78 FDPS (0.61) KDM4EMEN1KMT2AALDH1A1
SCHEMBL29426332 0.78 FDPS (0.61) KDM4EMEN1KMT2AALDH1A1
SCHEMBL29711664 0.75 FDPS (0.64) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL8676380 0.75 MEN1 (0.53) KDM4EMEN1KMT2AADRB2ADRB1
SCHEMBL11762781 0.75 CASR (0.52) KDM4EMEN1KMT2AADRB2ADRB1
Hydrochloric Acid SCHEMBL11870429 0.74 MAPT (0.52) KDM4EMEN1KMT2AADRB2ADRB1

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-5804603-A ADMINISTERING AS HYPOTENSIVE AGENTS; SIDE EFFECT REDUCTION; TOXICITY; LOWERS BLOOD PRESSURE. NATIONAL SCIENCE COUNCIL (TW) 1998-09-08 US disclosed