SCHEMBL30868632

SCHEMBL30868632

CCCCCCCCCCC(CCCCCCCCC)NC(=O)c1ccc(CC)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.77
TAS1R1 Q7RTX1 6/20 0.77
PLK1 P53350 2/20 0.51
MLYCD O95822 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
BDKRB2 P30411 1/20 0.47
HTT P42858 1/20 0.46
ASAH2 Q9NR71 1/20 0.46
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46

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
SCHEMBL24193420 0.88 TAS1R3 (0.58) TAS1R3TAS1R1MLYCDALDH1A1L3MBTL1
SCHEMBL702662 0.87 TAS1R3 (1.00) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL165896 0.84 PRSS1 (0.61) TAS1R3TAS1R1MLYCDALDH1A1PRSS1
SCHEMBL28010260 0.84 TAS1R3 (0.61) TAS1R3TAS1R1MLYCDL3MBTL1
SCHEMBL6437199 0.82 TAS1R3 (0.54) TAS1R3TAS1R1MLYCDPRSS1CTSG
SCHEMBL22747924 0.81 PRSS1 (0.59) TAS1R3TAS1R1MLYCDALDH1A1PRSS1
SCHEMBL14459750 0.79 TAS1R3 (0.73) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL24176016 0.78 HTT (0.71) TAS1R3TAS1R1ALDH1A1LMNAL3MBTL1
SCHEMBL24119887 0.78 HDAC3 (0.60) TAS1R3TAS1R1MLYCDPRSS1CTSG
SCHEMBL28858120 0.78 HTT (0.74) TAS1R3TAS1R1MLYCDALDH1A1LMNA

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
CN-117805328-A Salted duck egg quality detection device and method based on spectrum and color sensitive sensing technology 江苏大学 2024-04-02 CN claimed
CN-117805328-A Salted duck egg quality detection device and method based on spectrum and color sensitive sensing technology 江苏大学 2024-04-02 CN disclosed