SCHEMBL5822130

SCHEMBL5822130

COc1cc(OC)c2c(c1)C(=O)C(O)=C(O)C2=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP1A2 P05177 1/20 0.73
ELANE P08246 4/20 0.60
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ACHE P22303 1/20 0.45
LMNA P02545 1/20 0.44
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 1/20 0.42
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL16226679 0.85 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP1A2ELANEKDM4E
SCHEMBL16226869 0.83 ALDH1A1 (0.80) ALDH1A1CYP3A4CYP1A2ELANEKDM4E
SCHEMBL16227270 0.80 ALDH1A1 (0.70) ALDH1A1CYP3A4CYP1A2ELANEKDM4E
SCHEMBL23199006 0.79 ALDH1A1 (0.73) ALDH1A1CYP3A4CYP1A2ELANEKDM4E
SCHEMBL16226200 0.79 ELANE (0.72) ALDH1A1CYP3A4CYP1A2ELANEKDM4E
Acetic Acid SCHEMBL5810869 0.78 ALDH1A1 (0.60) ALDH1A1CYP3A4CYP1A2ELANEKDM4E
SCHEMBL16227337 0.78 ELANE (0.83) ALDH1A1CYP3A4CYP1A2ELANEKDM4E
SCHEMBL9878243 0.77 ALDH1A1 (0.83) ALDH1A1CYP3A4CYP1A2ELANEKDM4E
SCHEMBL6905135 0.77 ALDH1A1 (0.77) ALDH1A1CYP3A4CYP1A2ELANEKDM4E
Acetic Acid SCHEMBL5809013 0.77 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP1A2ELANEKDM4E

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
WO-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 WO disclosed