SCHEMBL7654854

SCHEMBL7654854

OCC(O)COCc1cccc(COCC(O)CO)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
AGTR1 P30556 1/20 0.39
LMNA P02545 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
USP2 O75604 1/20 0.34
PIK3CG P48736 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
Hydrochloric Acid SCHEMBL7656348 0.98 CYP1A2 (0.42) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL7661217 0.84 KCNH2 (0.39) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL7103428 0.83 USP2 (0.35) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL7662403 0.83 KCNH2 (0.41) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL7103431 0.83 USP2 (0.35) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL7106145 0.77 CYP1A2 (0.37) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL7104782 0.77 CYP1A2 (0.37) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL4051432 0.75 ADORA2A (0.43) KDM4EKCNH2TSHRLMNAPGK1
Resorcinol SCHEMBL3671329 0.73 LMNA (0.48) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL122306 0.73 CA1 (0.70) CYP1A2CYP2C19KMT2ATSHRMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed