SCHEMBL7991389

SCHEMBL7991389

O=C(OCc1ccccc1)c1c(CCCOC2=CCCCO2)ccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
MRE11 P49959 1/20 0.35
PRKCZ Q05513 1/20 0.35
MMP3 P08254 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 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
SCHEMBL7993372 0.87 MMP3 (0.38) MRE11MMP3KMT2AALDH1A1KDM4E
SCHEMBL7594254 0.86 CYP3A4 (0.34) MMP3ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL7394692 0.77 TDP1 (0.44) L3MBTL1NPC1ATMEGLN1TDP1
SCHEMBL7395958 0.76 TSHR (0.34) L3MBTL1NPC1KMT2AALDH1A1TSHR
SCHEMBL7979052 0.71 TP53 (0.39) L3MBTL1NPC1MMP3TDP1KMT2A
SCHEMBL7991480 0.69 MMP3 (0.50) L3MBTL1NPC1ATMMMP3KMT2A
SCHEMBL20522561 0.69 MAOB (0.44) L3MBTL1NPC1TDP1SLC6A2SLC6A3
SCHEMBL28396741 0.67 ALDH1A1 (0.55) L3MBTL1NPC1ATMEGLN1TDP1
SCHEMBL7392898 0.67 TDP1 (0.54) L3MBTL1NPC1ATMEGLN1TDP1
SCHEMBL7631721 0.66 ALDH1A1 (0.58) L3MBTL1NPC1ATMEGLN1TDP1

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-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed