SCHEMBL14280291

SCHEMBL14280291

COc1cc(CC=O)cc(OC)c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
FOS P01100 1/20 0.36
TTR P02766 1/20 0.36
JUN P05412 1/20 0.36
NR3C1 P04150 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
GCGR P47871 1/20 0.36
AKR1B1 P15121 1/20 0.36
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 1/20 0.35
LDHA P00338 1/20 0.35

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
SCHEMBL29022512 0.85 ALDH1A1 (0.38) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL27930394 0.79 TUBB4A (0.46) FOSTTRJUNAKR1B1CA2
SCHEMBL724406 0.78 PTGS2 (0.59) CA2PTGS2CYP3A4MAPT
SCHEMBL4576587 0.78 PTGS2 (0.59) ALDH1A1PDE3BPDE3AFOSTTR
SCHEMBL918818 0.78 FOS (0.39) ALDH1A1KDM4EPDE3BPDE3AFOS
SCHEMBL14262201 0.77 ALDH1A1 (0.46) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL2448637 0.76 PRKDC (0.42) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL918844 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EPDE3BPDE3ATTR
SCHEMBL4054977 0.76 MAPT (0.51) KDM4EAKR1B1CA2PTGS2CYP3A4
SCHEMBL918623 0.76 THRB (0.44) FOSTTRJUNNR3C1HSD17B1

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
US-7321050-B2 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH INC. (CA) 2008-01-22 US disclosed
US-7321050-B2 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH INC. (CA) 2008-01-22 US disclosed