SCHEMBL4866719

SCHEMBL4866719

CC(C)(C)c1cc(OC(=O)CC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(O)CCCCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.44
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALOX15 P16050 3/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
GABBR2 O75899 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL28358785 0.92 VCAM1 (0.48) VCAM1ALOX15ATMNPSR1GAA
SCHEMBL28687920 0.85 VCAM1 (0.38) VCAM1ALOX15ATMNPSR1GAA
SCHEMBL28390268 0.78 VCAM1 (0.42) VCAM1GAAKMT2A
1,6-Hexanediol SCHEMBL1353108 0.77 VCAM1 (0.54) VCAM1CA1CA2ALOX15ATM
SCHEMBL28931209 0.75 GPR84 (0.43) VCAM1GAALMNAKMT2AKCNH2
SCHEMBL28126151 0.75 VCAM1 (0.51) VCAM1CA1CA2ATMNPSR1
SCHEMBL28296638 0.74 VCAM1 (0.53) VCAM1CA1CA2ALOX15ATM
SCHEMBL28407485 0.74 VCAM1 (0.53) VCAM1CA1CA2ALOX15GAA
SCHEMBL7689933 0.74 VCAM1 (0.41) VCAM1ALOX15GAAALDH1A1LMNA
Cetostearyl Alcohol SCHEMBL28600237 0.73 VCAM1 (0.51) VCAM1CA1CA2ATMNPSR1

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
US-7423097-B2 Glycidyloxy groups-containing polybutadiene, mono-oxetane compound and cationic photoinitiator TOAGOSEI CO., LTD. (JP) 2008-09-09 US disclosed
US-20050148694-A1 Actinic radiation hardenable resin composition and hardening product thereof TOAGOSEI CO., LTD. (JP) 2005-07-07 US disclosed