SCHEMBL2829462

SCHEMBL2829462

C=C(C)C(=O)NC(F)(F)C(C)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TGFBR1 P36897 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9580899 0.78 THRB (0.32) ALDH1A1
SCHEMBL2828712 0.78 ALDH1A1 (0.36) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL2828941 0.77 POLB (0.36) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL9056500 0.77 THRB (0.35)
SCHEMBL138082 0.75 EPHX1 (0.41) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL9242168 0.73 EPHX1 (0.39) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL1032432 0.73 ALDH1A1 (0.36) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL11122559 0.73 ALDH1A1 (0.36) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL287905 0.73 TDP1 (0.41) ALDH1A1TGFBR1TDP1KDM4E
SCHEMBL822811 0.73 ALDH1A1 (0.36) ALDH1A1TGFBR1TDP1KDM4E

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-9172074-B2 Nonwoven material with particle filler CARL FREUDENBERG KG (DE) 2015-10-27 US disclosed
US-20100206804-A1 NONWOVEN MATERIAL WITH PARTICLE FILLER CARL FREUDENBERG KG (DE) 2010-08-19 US disclosed