SCHEMBL8904212

SCHEMBL8904212

[O]c1ccc(C=O)c(O)c1Cc1ccc2c(Cl)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.36
NQO1 P15559 3/20 0.34
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8904217 0.89 MEN1 (0.36) ERN1NQO1LMNANPSR1MEN1
SCHEMBL8904950 0.86 ERN1 (0.38) ERN1NQO1LMNANPSR1MEN1
SCHEMBL8904872 0.86 ERN1 (0.36) ERN1NQO1
SCHEMBL8905228 0.85 ERN1 (0.39) ERN1NQO1LMNANPSR1MEN1
SCHEMBL8904858 0.83 ERN1 (0.38) ERN1LMNANPSR1MEN1KMT2A
SCHEMBL8733903 0.81 PTGDR2 (0.40) KMT2ATHRATHRBALDH1A1TDP1
SCHEMBL8905392 0.81 NQO1 (0.36) ERN1NQO1LMNAMEN1KMT2A
SCHEMBL8906210 0.78 CETP (0.41) ERN1CYP1A2
SCHEMBL8904864 0.77 ERN1 (0.43) ERN1
SCHEMBL8734287 0.76 KMT2A (0.42) ERN1KMT2AHTTTHRATHRB

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
US-5677342-A ANTIDIABETIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-14 US claimed
US-5677342-A ANTIDIABETIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-14 US disclosed