SCHEMBL9830722

SCHEMBL9830722

O=C(O)CCCCCNC(=O)OCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
LMNA P02545 2/20 0.59
TSHR P16473 1/20 0.59
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RECQL P46063 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.56
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54

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
SCHEMBL9828038 0.94 HTT (0.71) HTTLMNATSHRMAPTRXFP1
SCHEMBL9828606 0.93 HTT (0.65) HTTLMNATSHRMAPTRXFP1
SCHEMBL25447800 0.85 CHRNB2 (0.59) HTTLMNASMN1; SMN2NPC1RECQL
SCHEMBL1836192 0.85 CHRNB2 (0.59) HTTLMNASMN1; SMN2NPC1RECQL
SCHEMBL125577 0.84 HTT (0.88) HTTLMNASMN1; SMN2KMT2A
SCHEMBL4858734 0.84 HTT (0.88) HTTLMNASMN1; SMN2KMT2A
SCHEMBL4857273 0.84 HTT (0.88) HTTLMNASMN1; SMN2KMT2A
SCHEMBL2876850 0.84 HTT (0.88) HTTLMNASMN1; SMN2KMT2A
SCHEMBL2875581 0.84 HTT (0.88) HTTLMNASMN1; SMN2KMT2A
SCHEMBL3287016 0.84 HTT (0.88) HTTLMNASMN1; SMN2KMT2A

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