SCHEMBL9067332

SCHEMBL9067332

COc1ccc(C(=O)CCNCC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.67
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
MMP1 P03956 1/20 0.56
MAPT P10636 4/20 0.55
ALDH1A1 P00352 5/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
HDAC8 Q9BY41 3/20 0.52
HDAC1 Q13547 3/20 0.52
GSK3B P49841 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL503582 0.83 PDE4B (0.80) PDE4BNPC1RAB9AMMP1MAPT
SCHEMBL9674448 0.81 NPC1 (0.68) PDE4BNPC1RAB9AMMP1MAPT
SCHEMBL2413943 0.80 PDE4B (0.93) PDE4BNPC1RAB9AMMP1MAPT
SCHEMBL99448 0.80 PDE4B (1.00) PDE4BNPC1RAB9AMMP1MAPT
SCHEMBL19407136 0.80 MMP1 (0.63) PDE4BNPC1RAB9AMMP1MAPT
SCHEMBL11065917 0.80 MMP1 (0.68) PDE4BNPC1RAB9AMMP1MAPT
SCHEMBL13518704 0.80 MMP1 (0.55) PDE4BNPC1RAB9AMMP1MAPT
SCHEMBL16552644 0.79 MMP1 (0.76) PDE4BNPC1RAB9AMMP1MAPT
SCHEMBL3104200 0.79 PDE4B (0.90) PDE4BNPC1RAB9AMMP1MAPT
SCHEMBL7864057 0.79 PDE4B (0.73) PDE4BNPC1RAB9AMMP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480869-A RESISTANT TO ENZYME DEGRADATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-01-02 US claimed
EP-0656011-A1 ANTI-INFLAMMATORY PEPTIDE ANALOGS AND TREATMENT TO INHIBIT VASCULAR LEAKAGE IN INJURED TISSUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-07 EP claimed
WO-1994003489-A1 ANTI-INFLAMMATORY PEPTIDE ANALOGS AND TREATMENT TO INHIBIT VASCULAR LEAKAGE IN INJURED TISSUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-17 WO claimed
US-5480869-A RESISTANT TO ENZYME DEGRADATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-01-02 US disclosed
EP-0656011-A1 ANTI-INFLAMMATORY PEPTIDE ANALOGS AND TREATMENT TO INHIBIT VASCULAR LEAKAGE IN INJURED TISSUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-07 EP disclosed
WO-1994003489-A1 ANTI-INFLAMMATORY PEPTIDE ANALOGS AND TREATMENT TO INHIBIT VASCULAR LEAKAGE IN INJURED TISSUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-17 WO disclosed