SCHEMBL4022672

SCHEMBL4022672

O=C1OC2(c3ccccc3Oc3ccccc32)c2c(F)c(F)c(F)c(F)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
BRCA1 P38398 1/20 0.43
FTO Q9C0B1 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
SMAD3 P84022 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PRMT1 Q99873 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CYP3A4 P08684 2/20 0.34

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
SCHEMBL6686737 0.88 AHR (0.36) ALDH1A1HPGDALOX15HSD17B10CYP2C9
SCHEMBL1608886 0.82 HPGD (0.45) ALDH1A1HPGDALOX15HSD17B10CYP2C9
SCHEMBL1608876 0.81 HPGD (0.63) ALDH1A1HPGDALOX15HSD17B10CYP2C9
Hydrochloric Acid SCHEMBL25316086 0.80 HPGD (0.62) ALDH1A1HPGDALOX15HSD17B10CYP2C9
SCHEMBL1644389 0.76 HPGD (0.41) ALDH1A1HPGDALOX15HSD17B10CYP2C9
SCHEMBL23457080 0.76 FTO (0.45) ALDH1A1HPGDALOX15HSD17B10CYP2C9
SCHEMBL8741821 0.75 ALDH1A1 (0.49) ALDH1A1HPGDALOX15HSD17B10CYP2C9
SCHEMBL6663597 0.75 ALDH1A1 (0.61) ALDH1A1HPGDALOX15HSD17B10CYP2C9
SCHEMBL23457054 0.74 ALDH1A1 (0.41) ALDH1A1HPGDALOX15HSD17B10CYP2C9
SCHEMBL9308167 0.74 HPGD (0.40) ALDH1A1HPGDALOX15HSD17B10CYP2C9

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-2009097433-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. (US) 2009-08-06 WO disclosed