SCHEMBL8580202

SCHEMBL8580202

COC1=CC(=O)c2cccc(C)c2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.61
CDC25A P30304 1/20 0.61
CDC25B P30305 1/20 0.61
P4HB P07237 3/20 0.55
PTPN1 P18031 1/20 0.51
GAPDH P04406 2/20 0.50
HKDC1 Q2TB90 2/20 0.47
APAF1 O14727 1/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TOP1 P11387 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL29985434 1.00 IDO1 (0.61) IDO1CDC25ACDC25BP4HBPTPN1
SCHEMBL8579585 0.86 CDC25A (0.61) IDO1CDC25ACDC25BP4HBPTPN1
SCHEMBL30002656 0.86 CDC25A (0.61) IDO1CDC25ACDC25BP4HBPTPN1
SCHEMBL8582559 0.83 GAPDH (0.69) IDO1CDC25ACDC25BP4HBPTPN1
SCHEMBL5174769 0.81 P4HB (0.74) IDO1CDC25ACDC25BP4HBPTPN1
SCHEMBL29728514 0.81 P4HB (0.74) IDO1CDC25ACDC25BP4HBPTPN1
SCHEMBL5811709 0.78 ALDH1A1 (0.59) IDO1CDC25ACDC25BP4HBAPAF1
SCHEMBL29906401 0.78 ALDH1A1 (0.59) IDO1CDC25ACDC25BP4HBAPAF1
SCHEMBL8581251 0.78 IDO1 (0.48) IDO1CDC25ACDC25BPTPN1HKDC1
SCHEMBL8583572 0.76 PDE4D (0.51) IDO1CDC25ACDC25BP4HBPTPN1

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
US-5708168-A FOR TREATING OR PREVENTING NEURONAL LOSS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1998-01-13 US disclosed
WO-1996015112-A1 AZEPINE SYNTHESIS VIA A DIELS-ALDER REACTION ACEA PHARMACEUTICALS, INC. (US) 1996-05-23 WO disclosed
US-5476933-A Condensation, ring expansion STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-12-19 US disclosed