SCHEMBL25868821

SCHEMBL25868821

Cc1cc(=O)c2c(cc(O)c3c(C)cc(O)cc32)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.60
PTGS1 P23219 4/20 0.58
PTGS2 P35354 4/20 0.58
NUAK1 O60285 2/20 0.53
IGF1R P08069 2/20 0.53
PIM1 P11309 2/20 0.53
SRC P12931 2/20 0.53
KDR P35968 2/20 0.53
PLK1 P53350 2/20 0.53
PKN1 Q16512 2/20 0.53
AURKB Q96GD4 2/20 0.53
ALK Q9UM73 2/20 0.53
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
MAOA P21397 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL21671248 0.91 PTGS1 (0.61) CLK2PTGS1PTGS2NUAK1IGF1R
SCHEMBL29586871 0.84 PTGS1 (0.59) CLK2PTGS1PTGS2NUAK1IGF1R
SCHEMBL18096537 0.84 PTGS1 (0.59) CLK2PTGS1PTGS2NUAK1IGF1R
Noreugenin SCHEMBL29370130 0.80 PTGS2 (0.71) PTGS1PTGS2NUAK1IGF1RPIM1
Noreugenin SCHEMBL168822 0.80 PTGS2 (0.71) PTGS1PTGS2NUAK1IGF1RPIM1
Alternariol SCHEMBL29423320 0.75 CLK2 (1.00) CLK2NUAK1IGF1RPIM1SRC
Alternariol SCHEMBL1096830 0.75 CLK2 (1.00) CLK2NUAK1IGF1RPIM1SRC
SCHEMBL1673012 0.73 PTGS1 (0.62) PTGS1PTGS2NUAK1IGF1RPIM1
SCHEMBL15315074 0.73 CYP3A4 (0.58) CLK2PTGS1PTGS2NUAK1IGF1R
Eugenitol SCHEMBL29881346 0.72 PTGS1 (0.77) PTGS1PTGS2NUAK1IGF1RPIM1

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
US-20230215512-A1 Systems and Methods for Identifying and Expressing Gene Clusters THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-06 US disclosed