SCHEMBL7373552

SCHEMBL7373552

CC(C)(C)OC(=O)CCCCCCCCCC(C(=O)O)[C@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.42
CTSS P25774 1/20 0.42
PRSS1 P07477 2/20 0.41
CTSG P08311 2/20 0.41
CTRB1 P17538 2/20 0.41
CMA1 P23946 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FAAH O00519 3/20 0.40
CES1 P23141 3/20 0.40
CPB2 Q96IY4 2/20 0.39
TRPA1 O75762 1/20 0.39
MGLL Q99685 1/20 0.39
LPAR1 Q92633 3/20 0.39

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
SCHEMBL27586622 0.83 MAPT (0.59) ADRB2ADRB1ADRB3MAPTRXFP1
SCHEMBL9196120 0.82 MAPT (0.56) ADRB2ADRB1ADRB3MAPTRXFP1
SCHEMBL30530701 0.82 FOLH1 (0.55) CPB2
SCHEMBL10578604 0.80 HDAC1 (0.56) ADRB2ADRB1ADRB3MAPTRXFP1
SCHEMBL25698036 0.77 ATM (0.42) CTSKCTSS
SCHEMBL1380801 0.77 TDP1 (0.61) MAPT
SCHEMBL3546854 0.77 MAPT (0.45) ADRB2ADRB1ADRB3MAPT
SCHEMBL3546849 0.77 MAPT (0.45) ADRB2ADRB1ADRB3MAPT
SCHEMBL4840439 0.76 CTSK (0.44) CTSKCTSSPRSS1CTSGCTRB1
SCHEMBL28494073 0.76 CTSS (0.45) CTSKCTSSPRSS1CTSGCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995033731-A1 HYDROXAMIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1995-12-14 WO disclosed