SCHEMBL5810865

SCHEMBL5810865

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.57
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
ABCC4 O15439 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CHRM2 P08172 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL3723343 0.85 ELANE (0.58) ELANEALDH1A1CYP1A2CYP3A4NFKB1
Acetic Acid SCHEMBL5809013 0.80 ALDH1A1 (0.65) ELANEALDH1A1CYP1A2CYP3A4NFKB1
SCHEMBL16226680 0.79 ELANE (0.66) ELANEALDH1A1CYP1A2CYP3A4NFKB1
SCHEMBL11372474 0.76 BACE1 (0.49) ALDH1A1MAPTHPGDMEN1KMT2A
Emodin Triacetate SCHEMBL4055898 0.73 ELANE (1.00) ELANEALDH1A1CYP1A2CYP3A4NFKB1
SCHEMBL23486216 0.72 ELANE (0.72) ELANEALDH1A1CYP1A2CYP3A4NFKB1
SCHEMBL5821938 0.72 HTT (0.50) ELANEALDH1A1KDM4EMAPTHPGD
SCHEMBL3326825 0.71 TUBB4A (0.63) ALDH1A1CYP3A4MAPTMEN1USP2
SCHEMBL16226679 0.71 ALDH1A1 (1.00) ELANEALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL23486128 0.71 ALDH1A1 (0.71) ELANEALDH1A1CYP1A2CYP3A4KDM4E

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