SCHEMBL8904217

SCHEMBL8904217

O=Cc1ccc(O)c(Cc2ccc3c(Cl)cccc3c2)c1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERN1 O75460 7/20 0.36
CETP P11597 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
NQO1 P15559 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL8904212 0.89 ERN1 (0.36) MEN1NPC1ALDH1A1LMNAPOLB
SCHEMBL8905228 0.86 ERN1 (0.39) MEN1NPC1ALDH1A1LMNAPOLB
SCHEMBL8904880 0.85 ERN1 (0.37) ERN1CETPNQO1CDK1
SCHEMBL8904864 0.85 ERN1 (0.43) ERN1CETPHSD17B1HSD17B2
SCHEMBL8904950 0.84 ERN1 (0.38) MEN1NPC1ALDH1A1LMNAPOLB
SCHEMBL8733903 0.82 PTGDR2 (0.40) ALDH1A1KMT2ATDP1CETP
SCHEMBL8905400 0.80 NQO1 (0.37) MEN1ALDH1A1KMT2ATDP1ERN1
SCHEMBL8906218 0.78 CETP (0.44) LMNAERN1CETP
SCHEMBL8734287 0.77 KMT2A (0.42) ALDH1A1KMT2ATDP1ERN1
SCHEMBL8732768 0.75 AR (0.40) NQO1

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