SCHEMBL1721809

SCHEMBL1721809

CNC(=O)C1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)C5CC[C@]43C)[C@H]2C1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.67
PTGES O14684 2/20 0.36
RORC P51449 1/20 0.36
CES2 O00748 1/20 0.35
TOP2A P11388 1/20 0.35
CES1 P23141 1/20 0.35
PTPN2 P17706 1/20 0.35
GPBAR1 Q8TDU6 3/20 0.35
USP7 Q93009 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
IDO1 P14902 1/20 0.33
PRKCD Q05655 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
SCHEMBL1721602 0.83 PTPN1 (0.47) PTPN1CES2CES1PTPN2
SCHEMBL29397134 0.81 PTPN1 (1.00) PTPN1PTGESRORCCES2TOP2A
SCHEMBL13742655 0.81 PTPN1 (1.00) PTPN1PTGESRORCCES2TOP2A
SCHEMBL29366625 0.81 PTPN1 (1.00) PTPN1PTGESRORCCES2TOP2A
SCHEMBL29001584 0.78 PTPN1 (0.72) PTPN1PTGESRORCCES2TOP2A
SCHEMBL28459816 0.78 PTPN1 (0.72) PTPN1PTGESRORCCES2TOP2A
SCHEMBL25329582 0.77 PTPN1 (0.62) PTPN1PTGESRORCCES2TOP2A
SCHEMBL1721886 0.75 PTPN1 (0.47) PTPN1CES2CES1PTPN2EGLN2
SCHEMBL422274 0.75 PTPN1 (0.57) PTPN1RORCCES2TOP2ACES1
SCHEMBL422801 0.74 PTPN1 (0.45) PTPN1RORCCES2TOP2ACES1

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
EP-2406272-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE onepharm Research & Development GmbH (AT) 2012-01-18 EP disclosed