SCHEMBL6880427

SCHEMBL6880427

C=CCOc1cc(OC)ccc1-c1ccccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
FLT3 P36888 1/20 0.46
ERN1 O75460 5/20 0.45
CYP1A2 P05177 2/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL7582880 0.83 ALDH1A1 (0.62) ALDH1A1ERN1CYP1A2LMNACYP2C9
SCHEMBL3340189 0.82 ALDH1A1 (0.65) ALDH1A1FLT3ERN1CYP1A2LMNA
SCHEMBL7152071 0.79 KDM4E (0.52) ALDH1A1FLT3ERN1CYP1A2CYP2C19
SCHEMBL3677398 0.79 ERN1 (0.56) ALDH1A1ERN1CYP1A2LMNACYP2C9
SCHEMBL343958 0.75 TRIM24 (0.65) ALDH1A1ERN1CYP1A2LMNACYP2C9
SCHEMBL23393436 0.74 ALDH1A1 (0.46) ALDH1A1ERN1CYP1A2LMNACYP2C9
SCHEMBL31432706 0.73 FLT3 (0.52) ALDH1A1FLT3CYP1A2CYP2C9CYP2C19
SCHEMBL1482988 0.72 ALDH1A1 (0.68) ALDH1A1LMNAMAPK1MAPTTDP1
SCHEMBL29690311 0.72 ALDH1A1 (0.68) ALDH1A1LMNAMAPK1MAPTTDP1
SCHEMBL2901176 0.71 FLT3 (0.64) ALDH1A1FLT3CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040033317-A1 Surface-active photoinitators CIBA SPECIALTY CHEMICALS CORP. 2004-02-19 US disclosed
EP-1353959-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-10-22 EP disclosed
WO-2002048204-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed