SCHEMBL7997188

SCHEMBL7997188

O=C(OCc1ccccc1)c1c(OCCSc2ccc(-c3ccc(Br)cc3)cc2)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.40
ANO1 Q5XXA6 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 3/20 0.36
ATM Q13315 1/20 0.36
MCL1 Q07820 1/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
MRE11 P49959 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL7993470 0.90 MMP3 (0.47) MMP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL7994042 0.89 L3MBTL1 (0.50) MMP3L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL7979052 0.80 TP53 (0.39) MMP3L3MBTL1TP53SMN1; SMN2KMT2A
SCHEMBL7979043 0.75 MMP3 (0.65) MMP3L3MBTL1HPGDNPC1ATM
SCHEMBL7993523 0.73 MMP3 (0.70) MMP3L3MBTL1TP53SMN1; SMN2MEN1
SCHEMBL7991480 0.72 MMP3 (0.50) MMP3L3MBTL1MEN1KMT2ANPC1
SCHEMBL7997116 0.72 MMP3 (0.69) MMP3L3MBTL1SMN1; SMN2HPGDTDP1
SCHEMBL28398723 0.70 NPC1 (0.57) L3MBTL1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL7392898 0.68 TDP1 (0.54) L3MBTL1HPGDKMT2ATDP1NPC1
SCHEMBL28396741 0.68 ALDH1A1 (0.55) L3MBTL1MEN1KMT2ATDP1NPC1

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