Sugi Predict

Sugi Predict / Compounds / SCHEMBL7996909

SCHEMBL7996909

SCHEMBL7996909

COc1ccc(-c2ccc(C(=O)CCCc3ccc4ccccc4c3C(=O)NO)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 9/20 1.00
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MTNR1A P48039 1/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCND1 P24385 1/20 0.43

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
SCHEMBL7990504 0.96 MMP3 (1.00) MMP3HDAC8HDAC1KMT2AMEN1
SCHEMBL7993209 0.88 MMP3 (0.79) MMP3HDAC8HDAC1KMT2AMEN1
SCHEMBL7397190 0.83 MMP3 (1.00) MMP3HDAC8HDAC1KMT2AMMP1
SCHEMBL7979268 0.79 MMP3 (1.00) MMP3MMP1
SCHEMBL7990513 0.77 MMP3 (0.67) MMP3KMT2AMEN1CYP3A4NPC1
SCHEMBL7389210 0.77 MMP3 (0.90) MMP3HDAC8HDAC1
SCHEMBL7398557 0.73 MMP3 (1.00) MMP3HDAC8HDAC1
SCHEMBL1521159 0.71 HDAC8 (0.91) HDAC8HDAC1MMP1PDE4B
SCHEMBL7997116 0.70 MMP3 (0.69) MMP3NPC1RAB9AMTNR1A
SCHEMBL7978894 0.69 MMP3 (0.74) MMP3MTNR1A

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