SCHEMBL7030145

SCHEMBL7030145

CC(=O)Oc1cccc(-c2cccc(CO)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CYP3A4 P08684 1/20 0.53
ACHE P22303 1/20 0.49
CNR2 P34972 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACMSD Q8TDX5 1/20 0.48
GAA P10253 1/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
BACE1 P56817 1/20 0.47
PRKCI P41743 1/20 0.47
GAPDH P04406 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ADORA2A P29274 1/20 0.45

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
SCHEMBL202980 0.90 CYP3A4 (0.59) LMNACYP3A4ACHECNR2CYP4F2
SCHEMBL7031791 0.84 ACHE (0.54) ACHECNR2ACMSDPRKCIMTNR1A
SCHEMBL28032593 0.84 LMNA (0.66) LMNACYP3A4ACHEMAPTTDP1
SCHEMBL4446422 0.81 MAPT (0.67) LMNACYP3A4ACHEMAPTTDP1
SCHEMBL16493806 0.80 CYP3A4 (0.49) LMNACYP3A4ACHEMAPTTDP1
SCHEMBL4937029 0.80 FYN (0.56) CYP3A4CYP4F2CYP4A11BACE1PRKCI
SCHEMBL4607313 0.80 LMNA (0.71) LMNACYP3A4ACHEMAPTTDP1
SCHEMBL26009136 0.80 LMNA (0.59) LMNACYP3A4ACHEMAPTTDP1
SCHEMBL8264641 0.78 LMNA (0.79) LMNACYP3A4ACHECNR2MAPT
SCHEMBL27999564 0.78 CYP3A4 (0.79) LMNACYP3A4ACHEMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758243-B1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 2003-03-12 EP disclosed
EP-0758243-A4 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 1997-08-20 EP disclosed
EP-0758243-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-02-19 EP disclosed
WO-1995029682-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWIS?a¿ TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-11-09 WO disclosed
US-5444050-A Binding of E-selectin or P-selectin to sialyl Lewisx or sialyl-Lewisa TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-08-22 US disclosed