SCHEMBL7145502

SCHEMBL7145502

CCCC(CC)C(CC)C[O]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
METAP1 P53582 2/20 0.36
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FDPS P14324 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
SCHEMBL1404786 0.84 LMNA (0.48) LMNAMETAP1CHRM1AKR1A1CHRM3
SCHEMBL3093576 0.83 LMNA (0.36) LMNAMETAP1TSHR
SCHEMBL19072756 0.81 LMNA (0.46) LMNAMETAP1CHRM1AKR1A1CHRM3
SCHEMBL16718867 0.81 LMNA (0.46) LMNAMETAP1CHRM1AKR1A1CHRM3
SCHEMBL28579390 0.77 METAP1 (0.36) METAP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4395094 0.77
SCHEMBL27524832 0.77 LMNA (0.39) LMNAMETAP1
SCHEMBL28803995 0.76 LMNA (0.50) LMNAMETAP1CHRM1AKR1A1CHRM3
SCHEMBL26332004 0.74 LMNA (0.46) LMNAMETAP1CHRM1AKR1A1CHRM3
SCHEMBL5496711 0.73 ALDH1A1 (0.42) LMNATDP1CYP3A4TSHRFDPS

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-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed