SCHEMBL11523628

SCHEMBL11523628

C=CC(CCC)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 3/20 0.39
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CTSK P43235 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL5818367 0.86 PLA2G2C (0.46) PLA2G2CCTSKMAPTTP53CYP1A2
SCHEMBL11296644 0.83
SCHEMBL24629598 0.82 ALDH1A1 (0.35) PLA2G2CSLC6A3TSHRNFKB1MAPT
SCHEMBL11525696 0.82 CYP2C9 (0.41) TAS1R3TAS1R1HDAC7HDAC8HDAC6
SCHEMBL56438 0.81 CTSK (0.50) PLA2G2CTAS1R3TAS1R1HDAC7HDAC8
SCHEMBL6559575 0.79 PLA2G2C (0.42) PLA2G2CCTSKTSHRMAPTRECQL
SCHEMBL28354564 0.77 KDM4E (0.33) PLA2G2CTSHRNFKB1MAPTKDM4E
SCHEMBL20183116 0.75 TAS1R3 (0.30) TAS1R3TAS1R1
SCHEMBL27909749 0.75 MAPT (0.42) PLA2G2CTAS1R3TAS1R1HDAC7HDAC8
SCHEMBL20077409 0.75 SLC6A2 (0.32) SLC6A3TSHRNFKB1BLMCYP2D6

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
US-4179292-A Light-sensitive copying composition HOECHST AKTIENGESELLSCHAFT (DE) 1979-12-18 US disclosed