SCHEMBL9716625

SCHEMBL9716625

O=C(O)CNc1ccccc1C(=O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
AGTR1 P30556 1/20 0.44
HPGD P15428 3/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CETP P11597 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
P2RX7 Q99572 2/20 0.40
ABCC1 P33527 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40

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
SCHEMBL9716641 0.92 AGTR1 (0.47) KDM4ERAB9AAGTR1HPGDALDH1A1
SCHEMBL4417501 0.78 RAB9A (0.47) KDM4ERAB9AAGTR1HPGDALDH1A1
SCHEMBL8824695 0.76 ALDH1A1 (0.55) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL8830080 0.76 HSD17B10 (0.55) KDM4EHPGDALDH1A1HSD17B10NPSR1
SCHEMBL29620333 0.76 KDM4E (0.71) KDM4ERAB9AAGTR1HPGDALDH1A1
SCHEMBL341645 0.76 KDM4E (0.71) KDM4ERAB9AAGTR1HPGDALDH1A1
SCHEMBL8538019 0.75 TDP1 (0.48) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL8533742 0.75 TDP1 (0.48) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL11795717 0.75 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10NPSR1
SCHEMBL4415534 0.75 AGTR1 (0.49) KDM4ERAB9AAGTR1HPGDALDH1A1

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

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