SCHEMBL2462212

SCHEMBL2462212

C=C(C)C(=O)OC(CC)NC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CAD P27708 1/20 0.33
NPC1 O15118 1/20 0.32
TGFBR1 P36897 1/20 0.30

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
SCHEMBL27776278 0.88 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1CAD
SCHEMBL18741232 0.86 ALDH1A1 (0.36) ALDH1A1TSHRTHRBTDP1
SCHEMBL9421251 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTHRBTGFBR1
SCHEMBL14647606 0.84 ALDH1A1 (0.40) ALDH1A1TSHRTHRBTGFBR1
SCHEMBL6314209 0.83 TSHR (0.50) ALDH1A1TSHRTHRBTDP1CAD
SCHEMBL1798321 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL516452 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL20530419 0.79 TSHR (0.41) ALDH1A1TSHRTHRBTDP1
SCHEMBL8748021 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL306404 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTHRB

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-9982074-B2 Use of composite films as a packaging material for oxidation-sensitive polymers, method for packaging oxidation-sensitive polymers, and packaging containing said composite films BASF SE (DE) 2018-05-29 US disclosed
US-20110220534-A1 USE OF COMPOSITE FILMS AS A PACKAGING MATERIAL FOR OXIDATION-SENSITIVE POLYMERS, METHOD FOR PACKAGING OXIDATION-SENSITIVE POLYMERS, AND PACKAGING CONTAINING SAID COMPOSITE FILMS BASF SE (DE) 2011-09-15 US disclosed