SCHEMBL21246818

SCHEMBL21246818

C=C(C)C(=O)OCCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
CYP1A2 P05177 3/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
MAOB P27338 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 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
SCHEMBL16693227 0.86 LMNA (0.50) NPC1CYP1A2TSHRSMN1; SMN2MEN1
SCHEMBL16693290 0.84 HDAC3 (0.49) NPC1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL17447746 0.84 CA2 (0.47) NPC1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL14368851 0.83 NPC1 (0.55) NPC1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL24178814 0.83 HDAC1 (0.52) NPC1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL6417734 0.83 KMT2A (0.48) NPC1CYP1A2TSHRSMN1; SMN2MEN1
Phosphoric Acid SCHEMBL7716499 0.82 SMN1; SMN2 (0.59) NPC1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL8016168 0.81 KMT2A (0.53) NPC1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL12379364 0.80 TSHR (0.42) NPC1CYP1A2TSHRSMN1; SMN2MEN1
SCHEMBL8911287 0.80 HDAC6 (0.50) NPC1CYP1A2NFKB1SMN1; SMN2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591275-B2 Smart release potash fertilizer granules RYNAN TECHNOLOGIES PTE LTD (SG) 2023-02-28 US disclosed
US-20210139388-A1 SMART RELEASE POTASH FERTILIZER GRANULES RYNAN TECHNOLOGIES PTE LTD , (SG) 2021-05-13 US disclosed
EP-3749626-A1 SMART RELEASE POTASH FERTILIZER GRANULES Rynan Technologies Pte. Ltd. (SG) 2020-12-16 EP disclosed
WO-2019153078-A1 SMART RELEASE POTASH FERTILIZER GRANULES RYNAN TECHNOLOGIES PTE LTD (SG) 2019-08-15 WO disclosed