SCHEMBL472236

SCHEMBL472236

C=C(C)C(=O)NC(C)CCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.43
BLM P54132 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
MLYCD O95822 1/20 0.35
TSHR P16473 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 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
SCHEMBL27597202 0.85 TAS1R3 (0.45) TGFBR1HRH3MLYCDTAS1R3TAS1R1
SCHEMBL472265 0.81 ADH1B (0.46) TGFBR1MLYCDTSHRTAS1R3TAS1R1
SCHEMBL18756802 0.81 TGFBR1 (0.41) TGFBR1MLYCDTAS1R3TAS1R1TAS1R2
SCHEMBL11675845 0.81 ADH1B (0.46) TGFBR1MLYCDTSHRTAS1R3TAS1R1
SCHEMBL11747509 0.81 ADH1B (0.46) TGFBR1MLYCDTSHRTAS1R3TAS1R1
SCHEMBL14219281 0.81 ADH1B (0.46) TGFBR1MLYCDTSHRTAS1R3TAS1R1
SCHEMBL472264 0.80 TGFBR1 (0.46) TGFBR1TAS1R3TAS1R1LMNARXFP1
SCHEMBL29519156 0.80 TGFBR1 (0.50) TGFBR1TSHRRXFP1ALDH1A1CYP2C9
SCHEMBL9888804 0.79 ALDH1A1 (0.42) BLMHRH3MLYCDTAS1R3TAS1R1
SCHEMBL525054 0.79 FFAR4 (0.42) TGFBR1TSHRLMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598551-B1 RADIATION CURABLE AQUEOUS COMPOSITIONS ALLNEX Belgium SA (BE) 2017-06-21 EP disclosed
US-9169381-B2 Radiation curable aqueous compositions ALLNEX BELGIUM S.A. (BE) 2015-10-27 US disclosed
CN-103003328-B Radiation curable aqueous compositions CYTEC SURFACE SPECIALTIES SA 2015-02-18 CN disclosed
US-20130122310-A1 RADIATION CURABLE AQUEOUS COMPOSITIONS ALLNEX BELGIUM S.A. (BE) 2013-05-16 US disclosed
CN-103003328-A Radiation curable aqueous compositions CYTEC SURFACE SPECIALTIES SA 2013-03-27 CN disclosed
EP-2412739-A1 Radiation curable aqueous compositions Cytec Surface Specialties, S.A. (BE) 2012-02-01 EP disclosed