SCHEMBL30754698

SCHEMBL30754698

CC(C(=O)O)c1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)noc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.55
UGT1A1 P22309 1/20 0.55
UGT1A3 P35503 1/20 0.55
UGT1A8 Q9HAW9 1/20 0.55
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
HIF1A Q16665 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
LTB4R Q15722 1/20 0.32
PDE4A P27815 3/20 0.32
APP P05067 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAOB P27338 2/20 0.32
S1PR3 Q99500 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31

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
SCHEMBL305411 0.84 JUN (0.75) JUNUGT1A1UGT1A3UGT1A8LTB4R
SCHEMBL1100281 0.83 JUN (0.64) JUNUGT1A1UGT1A3UGT1A8HIF1A
SCHEMBL27753402 0.80 JUN (0.49) JUNUGT1A1UGT1A3UGT1A8LMNA
SCHEMBL6923825 0.79 JUN (0.56) JUNUGT1A1UGT1A3UGT1A8HIF1A
SCHEMBL2964477 0.79 JUN (0.59) JUNUGT1A1UGT1A3UGT1A8LMNA
SCHEMBL2967226 0.76 JUN (0.69) JUNUGT1A1UGT1A3UGT1A8LTB4R
SCHEMBL668828 0.76 JUN (0.57) JUNUGT1A1UGT1A3UGT1A8LMNA
SCHEMBL31484568 0.74 MRGPRX4 (0.37) PTGS1PTGS2MAOB
SCHEMBL2965022 0.74 JUN (0.61) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2967854 0.73 JUN (0.59) JUNUGT1A1UGT1A3UGT1A8LTB4R

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-20240366544-A1 REGULATION OF MUTANT TERT BY BRAF V600E/MAP KINASE PATHWAY THROUGH FOS/GABP IN HUMAN CANCER UNIV JOHNS HOPKINS (US) 2024-11-07 US claimed
WO-2024026354-A2 METHODS AND COMPOSITIONS FOR USE IN TREATING AUTOSOMAL RECESSIVE POLYCYSTIC KIDNEY DISEASE (ARPKD) THE GENERAL HOSPITAL CORPORATION (US) 2024-02-01 WO disclosed