SCHEMBL7790573

SCHEMBL7790573

CCCCC(N)C(=O)OC(=O)c1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 7/20 0.48
CYP3A4 P08684 2/20 0.48
CA2 P00918 1/20 0.48
TSHR P16473 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 2/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
NAAA Q02083 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL15993621 0.95 LMNA (0.54) LMNATDP1ALDH1A1CYP3A4CA2
SCHEMBL17417899 0.93 LMNA (0.53) LMNATDP1ALDH1A1CYP3A4CA2
SCHEMBL19614688 0.86 TDP1 (0.49) LMNATDP1ALDH1A1TSHRL3MBTL1
SCHEMBL1650196 0.86 TDP1 (0.49) LMNATDP1ALDH1A1TSHRL3MBTL1
SCHEMBL23398209 0.83 LMNA (0.64) LMNATDP1ALDH1A1CYP3A4CA2
SCHEMBL28962981 0.82 TDP1 (0.44) LMNATDP1ALDH1A1TSHRHSD17B10
SCHEMBL11403740 0.81 LMNA (0.50) LMNATDP1ALDH1A1CYP3A4CA2
SCHEMBL186936 0.81 LMNA (0.50) LMNATDP1ALDH1A1CYP3A4CA2
SCHEMBL5606092 0.80 TDP1 (0.43) LMNATDP1ALDH1A1TSHRHSD17B10
SCHEMBL6896518 0.80 TDP1 (0.50) LMNATDP1ALDH1A1CA2TSHR

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-1150718-A1 CONJUGATES OF LIPIDS AND ANTIMICROBIAL OR ANTINEOPLASTIC DRUGS OREGON HEALTH SCIENCES UNIVERSITY (US) 2001-11-07 EP disclosed
WO-2000033883-A1 COVALENT POLAR LIPID CONJUGATES WITH ANTIMICROBIAL AND ANTINEOPLASTIC DRUGS FOR TARGETING TO BIOLOGICAL PROTECTED SITES OREGON HEALTH SCIENCES UNIVERSITY (US) 2000-06-15 WO disclosed
WO-2000033884-A1 CONJUGATES OF LIPIDS AND ANTIMICROBIAL OR ANTINEOPLASTIC DRUGS OREGON HEALTH SCIENCES UNIVERSITY (US) 2000-06-15 WO disclosed