SCHEMBL9067134

SCHEMBL9067134

COc1ccc(C(=O)CN[C@H](C)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 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
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
PDE4B Q07343 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
MMP1 P03956 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
SCHEMBL10770940 0.85 ADRB2 (0.56) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL17515839 0.82 DPP4 (0.55) GSK3BALDH1A1HSD17B10THRBTSHR
SCHEMBL3590805 0.82 DPP4 (0.55) GSK3BALDH1A1HSD17B10THRBTSHR
SCHEMBL10893539 0.80 HDAC8 (0.50) GSK3BHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL10887397 0.79 HDAC8 (0.49) GSK3BHDAC3HDAC4HDAC1HDAC7
SCHEMBL11065663 0.78 MMP1 (0.64) HDAC1HDAC8ALDH1A1THRBPDE4B
SCHEMBL6237220 0.78 LDHA (0.57) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL28049334 0.78 LDHA (0.57) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7473135 0.77 FPR2 (0.58) ALDH1A1NPC1RAB9AALOX15CA2
SCHEMBL1694967 0.77 HDAC3 (0.58) GSK3BHDAC3HDAC4HDAC1HDAC7

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