SCHEMBL7438425

SCHEMBL7438425

CCOC(=O)OC(=O)OCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
SOAT1 P35610 1/20 0.48
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CTSK P43235 1/20 0.47
MAPT P10636 2/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP12 P39900 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46

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
SCHEMBL2018455 0.93 LMNA (0.62) LMNASMN1; SMN2NPC1RECQLRAB9A
SCHEMBL2023736 0.89 LMNA (0.56) LMNASMN1; SMN2NPC1RECQLRAB9A
SCHEMBL2022982 0.87 LMNA (0.54) LMNAMAPT
SCHEMBL2021408 0.87 LMNA (0.54) LMNAMAPT
SCHEMBL8847879 0.87 LMNA (0.58) LMNASMN1; SMN2NPC1RECQLRAB9A
SCHEMBL2022070 0.87 LMNA (0.54) LMNAMAPT
SCHEMBL2020955 0.87 LMNA (0.54) LMNAMAPT
SCHEMBL2021331 0.87 LMNA (0.54) LMNAMAPT
SCHEMBL983638 0.84 LMNA (0.72) LMNASMN1; SMN2NPC1RECQLRAB9A
SCHEMBL2023248 0.83 LMNA (0.62) LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 WO disclosed