SCHEMBL7745866

SCHEMBL7745866

Cn1c(CCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RECQL P46063 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL7419575 0.87 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL1822005 0.85 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL11290176 0.85 KDM4E (0.59) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL9116970 0.84 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL10394883 0.84 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL9394689 0.84 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6885101 0.84 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL9395064 0.84 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6944694 0.83 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL8952581 0.82 KDM4E (0.56) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10

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
WO-1998014181-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-09 WO claimed
WO-2001021166-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 WO disclosed
US-5922757-A ADMINISTERING ALPHA-TOCOPHEROL TO PATIENTS WITH HEPATITIS C WHO ARE REFRACTORY TO INTERFERON THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-07-13 US disclosed
WO-1998014181-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-09 WO disclosed