SCHEMBL9716641

SCHEMBL9716641

O=C(O)CNc1ccccc1C(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PARP1 P09874 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD O00767 1/20 0.37

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
SCHEMBL9716625 0.92 KDM4E (0.44) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL8830080 0.83 HSD17B10 (0.55) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL341645 0.79 KDM4E (0.71) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL29620333 0.79 KDM4E (0.71) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL4415534 0.78 AGTR1 (0.49) AGTR1KDM4ERAB9AALDH1A1HPGD
Methane SCHEMBL2342916 0.78 KDM4E (0.69) AGTR1KDM4ERAB9AALDH1A1HPGD
Water SCHEMBL7614858 0.78 KDM4E (0.69) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL5692314 0.76 PARP1 (0.51) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL5707628 0.76 POLB (0.56) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL1499127 0.76 AGTR1 (0.60) AGTR1KDM4ERAB9AALDH1A1HPGD

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
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed