SCHEMBL9696091

SCHEMBL9696091

CCCCCCCCCCC(CC)C(=O)Oc1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
XBP1 P17861 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.52
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 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
SCHEMBL3862544 0.87 TSHR (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17138161 0.85 L3MBTL1 (0.65) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL2293325 0.84 ATM (0.53) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28755162 0.84 ATM (0.53) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28714996 0.84 ATM (0.53) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL2287185 0.84 ATM (0.53) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL2293709 0.82 L3MBTL1 (0.54) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL8957417 0.79 GAA (0.52) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL20519807 0.78 PTGS2 (0.52) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL20520163 0.78 PTGS2 (0.52) GAAXBP1ATMNPSR1L3MBTL1

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
US-5093042-A Site-specific for liver; diagnosis of metastatic cancer THE UNIVERSITY OF MICHIGAN (US) 1992-03-03 US disclosed
US-4957729-A CONTRAST THE UNIVERSITY OF MICHIGAN (US) 1990-09-18 US disclosed
US-4873075-A SITE-SPECIFIC TO LIVER AND HEPATOCYTE; SCINTIGRAPHY IMAGING THE UNIVERSITY OF MICHIGAN (US) 1989-10-10 US disclosed