SCHEMBL9828038

SCHEMBL9828038

O=C(O)CCCNC(=O)OCCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 1/20 0.60
RECQL P46063 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 4/20 0.58
TSHR P16473 1/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
NCOR2 Q9Y618 1/20 0.58
CHRNB2 P17787 1/20 0.57

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
SCHEMBL9830722 0.94 HTT (0.63) HTTSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL9828606 0.87 HTT (0.65) HTTSMN1; SMN2LMNATSHRHDAC3
SCHEMBL4922485 0.85 SMN1; SMN2 (0.60) HTTSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL23120359 0.84 CHRNB2 (0.62) HTTSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL4910211 0.84 SMN1; SMN2 (0.61) HTTSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL319161 0.83 HTT (1.00) HTTSMN1; SMN2LMNAHDAC3HDAC4
SCHEMBL19438762 0.82 CHRNB2 (0.64) HTTSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL1836192 0.81 CHRNB2 (0.59) HTTSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL25447800 0.81 CHRNB2 (0.59) HTTSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL4920505 0.81 CHRNB2 (0.56) HTTSMN1; SMN2NPC1RECQLRAB9A

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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed