SCHEMBL7782075

SCHEMBL7782075

CCCc1c(O)c(CC(C)O)cc(-c2ccccc2)c1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.37
LTB4R2 Q9NPC1 5/20 0.37
HSP90AB1 P08238 1/20 0.34
GCGR P47871 2/20 0.34
BACE1 P56817 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL7039237 0.82 BACE1 (0.45) LTB4RLTB4R2BACE1AKR1C3AKR1C2
SCHEMBL22497560 0.76 LTB4R (0.41) LTB4RLTB4R2BACE1PPARAKDM4E
SCHEMBL2879317 0.74 BACE1 (0.50) LTB4RLTB4R2BACE1KDM4EALDH1A1
SCHEMBL28700316 0.72 BACE1 (0.42) LTB4RLTB4R2BACE1PPARAALDH1A1
SCHEMBL2870897 0.72 HDAC4 (0.44) BACE1AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL28424365 0.71 PDE4B (0.42) LTB4RLTB4R2GCGRBACE1PTPN2
SCHEMBL27940515 0.70 PDE4B (0.39) LTB4RLTB4R2GCGRBACE1PDE4B
SCHEMBL5272384 0.70 KMT2A (0.61) PPARAALDH1A1PPARG
SCHEMBL11022297 0.69 PTPN1 (0.42) BACE1AKR1C3AKR1C2AKR1C1KDM4E
SCHEMBL2870986 0.69 BACE1 (0.42) LTB4RLTB4R2BACE1KDM4EALDH1A1

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
EP-1140756-A2 SYNTHESIS OF DIHYDROHONOKIOL COMPOSITIONS THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2001-10-10 EP disclosed
WO-2000040532-A2 SYNTHESIS OF DIHYDROHONOKIOL COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-13 WO disclosed