SCHEMBL30375449

SCHEMBL30375449

Cc1ccc(C(=O)OCCCNCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ S1PR2 O95136 1/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ S1PR3 Q99500 1/20 0.54
▸ LPAR2 Q9HBW0 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.51
▸ SCN8A Q9UQD0 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ MITF O75030 1/20 0.49
▸ GAA P10253 1/20 0.49

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
SCHEMBL8356618 0.90 TDP1 (0.64) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL28983251 0.89 S1PR2 (0.60) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL28983266 0.83 SMN1; SMN2 (0.54) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL28553022 0.82 SMN1; SMN2 (0.52) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL14721986 0.81 TDP1 (0.72) SMN1; SMN2TDP1MAPTMAPK1MEN1
SCHEMBL8108520 0.78 ESR1 (0.73) SMN1; SMN2TDP1MAPTMAPK1KMT2A
SCHEMBL30285481 0.78 TDP1 (0.58) SMN1; SMN2TDP1SCN8AKDM4EMAPT
SCHEMBL14722402 0.77 NPC1 (0.72) SMN1; SMN2TDP1MAPTMAPK1MEN1
SCHEMBL6578044 0.77 TDP1 (0.64) SMN1; SMN2TDP1MAPTMAPK1NPC1
SCHEMBL13410610 0.77 TSHR (0.59) SMN1; SMN2TDP1MAPTMAPK1KMT2A

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
CN-112759674-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2023-04-11 — — CN disclosed
Send feedback