SCHEMBL9832022

SCHEMBL9832022

COC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ HDAC1 Q13547 8/20 0.55
▸ HDAC6 Q9UBN7 8/20 0.55
▸ ACE P12821 1/20 0.54
▸ CAPN1 P07384 1/20 0.52
▸ TACR1 P25103 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL9830988 0.90 MMP1 (0.56) CAPN1
SCHEMBL9417356 0.87 HDAC1 (0.56) POLBHDAC1HDAC6ACEHDAC8
SCHEMBL8765767 0.83 HDAC8 (0.58) POLBTACR1HDAC8ALDH1A1KMT2A
SCHEMBL7357746 0.82 CAPN1 (0.53) ACECAPN1
SCHEMBL10593105 0.82 CAPN1 (0.53) ACECAPN1
SCHEMBL8910575 0.82 HDAC1 (0.53) POLBHDAC1HDAC6CAPN1HDAC8
SCHEMBL28258931 0.81 ACE (0.57) POLBHDAC1HDAC6ACETACR1
SCHEMBL28258933 0.81 ACE (0.57) POLBHDAC1HDAC6ACETACR1
SCHEMBL8910628 0.81 KMT2A (0.56) POLBHDAC1HDAC6KMT2A
SCHEMBL16063577 0.80 ATM (0.53) TACR1HDAC8KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS — 1991-01-02 — — EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 — — EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 — — WO disclosed
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