SCHEMBL29038569

SCHEMBL29038569

CCCCCCCCCCCCNC(=O)c1cc[nH]c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
MLYCD O95822 1/20 0.55
CA2 P00918 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
EPHX1 P07099 3/20 0.48
HTT P42858 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL29038552 1.00 NAAA (0.62) NAAAL3MBTL1MLYCDCA2SMN1; SMN2
SCHEMBL6470924 0.94 SMN1; SMN2 (0.58) NAAAL3MBTL1MLYCDCA2SMN1; SMN2
SCHEMBL29038548 0.84 NPC1 (0.43) NAAAL3MBTL1SMN1; SMN2THRBALDH1A1
SCHEMBL30527282 0.81 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDCA2SMN1; SMN2
SCHEMBL845966 0.81 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDCA2SMN1; SMN2
SCHEMBL9265536 0.81 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDCA2SMN1; SMN2
SCHEMBL10481026 0.81 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDCA2SMN1; SMN2
SCHEMBL9504178 0.81 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDCA2SMN1; SMN2
SCHEMBL6535660 0.81 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDCA2SMN1; SMN2
SCHEMBL846047 0.81 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDCA2SMN1; SMN2

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-116479237-A Extractant, preparation method and application thereof 中国科学院过程工程研究所 2023-07-25 CN claimed
CN-116479237-A Extractant, preparation method and application thereof 中国科学院过程工程研究所 2023-07-25 CN disclosed