SCHEMBL7994042

SCHEMBL7994042

COc1ccc(-c2ccc(SCCOc3ccc4ccccc4c3C(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 1/20 0.50
ATM Q13315 1/20 0.50
MMP3 P08254 5/20 0.49
DHODH Q02127 2/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PRKCZ Q05513 1/20 0.39
PTGS2 P35354 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSD P07339 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7997188 0.89 MMP3 (0.40) L3MBTL1NPC1ATMMMP3KMT2A
SCHEMBL7993470 0.89 MMP3 (0.47) L3MBTL1NPC1MMP3DHODHKMT2A
SCHEMBL7991480 0.84 MMP3 (0.50) L3MBTL1NPC1ATMMMP3DHODH
SCHEMBL7997116 0.82 MMP3 (0.69) L3MBTL1NPC1MMP3TDP1CTSD
SCHEMBL7979043 0.78 MMP3 (0.65) L3MBTL1NPC1ATMMMP3MAPT
SCHEMBL7993523 0.72 MMP3 (0.70) L3MBTL1NPC1MMP3DHODHKMT2A
SCHEMBL5503391 0.71 NCEH1 (0.59) L3MBTL1NPC1KMT2AMEN1CTSD
SCHEMBL10345453 0.69 MAPK1 (0.55) L3MBTL1NPC1KMT2AMEN1PTGS2
SCHEMBL10345794 0.69 SMN1; SMN2 (0.58) L3MBTL1NPC1KMT2AMEN1TSHR
SCHEMBL7979052 0.69 TP53 (0.39) L3MBTL1NPC1MMP3KMT2ACASP3

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