SCHEMBL6450378

SCHEMBL6450378

CN(C)CCCC1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
EPHX1 P07099 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL13607511 0.82 LMNA (0.43) LMNAEPHX1SIGMAR1POLBALDH1A1
SCHEMBL6450396 0.80 EPHX1 (0.50) LMNAEPHX1SMN1; SMN2POLBUSP2
SCHEMBL13294283 0.78 EPHX1 (0.60) LMNAEPHX1SMN1; SMN2POLBUSP2
SCHEMBL3684347 0.78 EPHX1 (0.60) LMNAEPHX1SMN1; SMN2POLBUSP2
SCHEMBL176407 0.77
Fluoride SCHEMBL27304026 0.77 EPHX1 (0.65) LMNAEPHX1SMN1; SMN2POLBUSP2
SCHEMBL21869508 0.77 EPHX1 (0.46) LMNAEPHX1SIGMAR1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL11412369 0.76 EPHX1 (0.46) LMNAEPHX1SMN1; SMN2POLBUSP2
SCHEMBL587972 0.76
SCHEMBL3025639 0.76 LMNA (0.39) LMNASIGMAR1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525235-A1 MICROSTRUCTURE CHAIN TRANSFER AGENTS FOR ANIONIC POLYMERIZATION Hellermann, Walter (DE) 2005-04-27 EP claimed
WO-2004014966-A1 MICROSTRUCTURE CHAIN TRANSFER AGENTS FOR ANIONIC POLYMERIZATION HELLERMANN WALTER (DE) 2004-02-19 WO claimed