SCHEMBL6620852

SCHEMBL6620852

CC(C)(C)OC(=O)[N+]1(C2CCNCC2)CCC[C@@H](C(=O)N2CCOCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
DPP4 P27487 1/20 0.32

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
SCHEMBL6620171 0.80 USP2 (0.34) RECQLSMN1; SMN2USP2
SCHEMBL6622739 0.75 BCHE (0.33)
Hydrochloric Acid SCHEMBL16823825 0.75
SCHEMBL6499458 0.72 FASN (0.39) SMN1; SMN2HPGDPOLBTSHRMEN1
SCHEMBL6673776 0.70 CHRM2 (0.36)
SCHEMBL4794552 0.69
SCHEMBL493454 0.68 CHRNB2 (0.62) RECQLSMN1; SMN2MAPK1HPGDPOLB
Tert-Butyl Formate SCHEMBL28309467 0.68 RECQL (0.54) RECQLSMN1; SMN2USP2HPGDPOLB
SCHEMBL7575563 0.67
Ammonia Solution, Strong SCHEMBL1764234 0.67 CHRNB2 (0.60) RECQLSMN1; SMN2MAPK1HPGDPOLB

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-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 EP disclosed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed