SCHEMBL8580602

SCHEMBL8580602

COC1=CC(=O)C2=C(CC=CC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.48
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPN1 P18031 1/20 0.44
IDO1 P14902 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
ALOX5 P09917 12/20 0.38
PTGS2 P35354 1/20 0.38
TYR P14679 1/20 0.38
ERBB2 P04626 1/20 0.38
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL8580595 0.76 HKDC1 (0.48) HKDC1KDM4EMEN1USP2TP53
SCHEMBL8582517 0.74 HKDC1 (0.47) HKDC1KDM4EMEN1USP2TP53
SCHEMBL8582301 0.74 HKDC1 (0.40) HKDC1KDM4EMEN1USP2TP53
SCHEMBL8582952 0.73 HKDC1 (0.46) HKDC1KDM4EMEN1USP2TP53
SCHEMBL8677812 0.72 ALDH1A1 (0.39) KDM4EMEN1USP2TP53CYP3A4
SCHEMBL8581216 0.72 ALOX5 (0.39) HKDC1ALOX5MPEG1
SCHEMBL3417111 0.67 HKDC1 (0.56) HKDC1KDM4EMEN1USP2TP53
SCHEMBL49737 0.67 ERBB2 (0.62) HKDC1KDM4EMEN1USP2TP53
SCHEMBL11288297 0.67 PTPRA (0.32)
SCHEMBL8579629 0.66 HKDC1 (0.39) HKDC1KDM4EMEN1USP2TP53

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