SCHEMBL7724357

SCHEMBL7724357

CCCCNC(=O)C(O)c1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.66
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALB P02768 1/20 0.49
CYP2C9 P11712 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PAX8 Q06710 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL6388581 0.81 NAAA (0.76) NAAA
SCHEMBL6387020 0.81 NAAA (0.76) NAAA
SCHEMBL4881390 0.81 NAAA (0.76) NAAA
SCHEMBL6258955 0.81 NAAA (0.97) NAAAHPGDLMNAALDH1A1PAX8
SCHEMBL5705005 0.78 NAAA (0.70) NAAAALDH1A1
SCHEMBL4880966 0.78 NAAA (0.70) NAAAALDH1A1
SCHEMBL4882322 0.78 NAAA (0.70) NAAAALDH1A1
SCHEMBL21674352 0.75 NAAA (0.55) NAAALMNATSHRALDH1A1CNR1
SCHEMBL4878027 0.75 NAAA (0.66) NAAAHPGDLMNA
SCHEMBL7084564 0.75 NAAA (0.66) NAAAHPGDLMNA

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-6403818-B1 ONE POT PROCESS STARTING FROM CARBONYL COMPOUND, ALCOHOL, THIOL OR AMINE, AND PROTECTED HYDROXYDICYANO COMPOUND EISAI CO., LTD. (JP) 2002-06-11 US disclosed