SCHEMBL7913352

SCHEMBL7913352

CCCCCCCCCC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.60
FOLH1 Q04609 5/20 0.57
ALDH1A1 P00352 3/20 0.56
RAB9A P51151 2/20 0.56
PRSS1 P07477 3/20 0.54
CTSG P08311 3/20 0.54
CTRB1 P17538 3/20 0.54
CMA1 P23946 3/20 0.54
NAAA Q02083 1/20 0.51
NPC1 O15118 1/20 0.50
C3AR1 Q16581 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7759090 0.94 CA2 (0.61) CA2FOLH1ALDH1A1RAB9APRSS1
SCHEMBL29036089 0.94 CA2 (0.61) CA2FOLH1ALDH1A1RAB9APRSS1
SCHEMBL24064866 0.93 CA2 (0.63) CA2FOLH1ALDH1A1RAB9APRSS1
SCHEMBL186935 0.89 CA2 (0.68) CA2FOLH1ALDH1A1RAB9APRSS1
SCHEMBL186937 0.89 CA2 (0.68) CA2FOLH1ALDH1A1RAB9APRSS1
SCHEMBL10668269 0.89 CA2 (0.68) CA2FOLH1ALDH1A1RAB9APRSS1
Octadecylamine SCHEMBL7750304 0.88 CA2 (0.58) CA2FOLH1PRSS1CTSGCTRB1
Water SCHEMBL28083864 0.87 CA2 (0.58) CA2FOLH1ALDH1A1RAB9APRSS1
Ammonia Solution, Strong SCHEMBL11218438 0.87 CA2 (0.67) CA2FOLH1ALDH1A1RAB9APRSS1
SCHEMBL31661789 0.86 CA2 (0.62) CA2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141385-A2 TARGET MOLECULE ATTACHMENT TO SURFACES SurModics, Inc. (US) 2001-10-10 EP disclosed
EP-1019424-A2 REAGENT AND METHOD FOR ATTACHING TARGET MOLECULES TO A SURFACE SurModics, Inc. (US) 2000-07-19 EP disclosed
WO-2000040593-A2 TARGET MOLECULE ATTACHMENT TO SURFACES SURMODICS, INC. (US) 2000-07-13 WO disclosed
WO-1999016907-A2 REAGENT AND METHOD FOR ATTACHING TARGET MOLECULES TO A SURFACE SURMODICS, INC. (US) 1999-04-08 WO disclosed