SCHEMBL11118599

SCHEMBL11118599

C=C(C)C(=O)NC(CO)CCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.52
TAS1R3 Q7RTX0 11/20 0.37
TAS1R1 Q7RTX1 11/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.33
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 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
SCHEMBL31402450 0.86 TGFBR1 (0.44) TGFBR1TAS1R3TAS1R1HDAC7HDAC8
SCHEMBL9178082 0.86 TGFBR1 (0.53) TGFBR1
SCHEMBL11054458 0.86 TGFBR1 (0.46) TGFBR1TSHR
SCHEMBL274760 0.86 TGFBR1 (0.61) TGFBR1CNR1ALDH1A1TSHRADRA1A
SCHEMBL28829839 0.85 TGFBR1 (0.43) TGFBR1TAS1R3TAS1R1
SCHEMBL28246144 0.84 TGFBR1 (0.55) TGFBR1CNR1HDAC6ALDH1A1ADRA1A
SCHEMBL1944434 0.84 TGFBR1 (0.55) TGFBR1CNR1HDAC6ALDH1A1ADRA1A
SCHEMBL2552690 0.79 TGFBR1 (0.39) TGFBR1TAS1R3TAS1R1
SCHEMBL14937691 0.79 TGFBR1 (0.42) TGFBR1TAS1R3TAS1R1
SCHEMBL20503405 0.79 TGFBR1 (0.42) TGFBR1TAS1R3TAS1R1

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-4432884-A COPOLYMER OF ALKYLOLAMIDE LAND ALKENYL COMPOUND KATAYAMA CHEMICAL WORKS CO., LTD. (JP) 1984-02-21 US claimed
US-4432884-A COPOLYMER OF ALKYLOLAMIDE LAND ALKENYL COMPOUND KATAYAMA CHEMICAL WORKS CO., LTD. (JP) 1984-02-21 US disclosed