SCHEMBL8581124

SCHEMBL8581124

CCCCC/C=C/C=C(\C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.46
PTPN1 P18031 1/20 0.44
FAAH O00519 8/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL8581126 1.00 FASN (0.46) FASNPTPN1FAAHALDH1A1TSHR
SCHEMBL18097887 0.98 FASN (0.49) FASNPTPN1FAAHGMNNUSP2
SCHEMBL10429890 0.98 FASN (0.49) FASNPTPN1FAAHGMNNUSP2
SCHEMBL28050294 0.98 FASN (0.49) FASNPTPN1FAAHGMNNUSP2
SCHEMBL8582738 0.98 FASN (0.49) FASNPTPN1FAAHGMNNUSP2
SCHEMBL31129124 0.92 FASN (0.50) FASNPTPN1FAAHALDH1A1TSHR
SCHEMBL29188769 0.87 TAS1R3 (0.37) FASNPTPN1FAAHALDH1A1CNR1
SCHEMBL3968904 0.82 FASN (0.52) FASNPTPN1FAAHALDH1A1TSHR
SCHEMBL5478606 0.81 TRPA1 (0.37) ALDH1A1RECQL
SCHEMBL28124831 0.81 FASN (0.45) FASNPTPN1FAAHCNR1CNR2

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