SCHEMBL22079660

SCHEMBL22079660

CCCN(CCC)C(=O)OCC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ HPGD P15428 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CASP3 P42574 1/20 0.43

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
SCHEMBL22079647 0.87 NPC1 (0.53) NPC1RAB9AHPGDL3MBTL1KMT2A
SCHEMBL22079635 0.86 NPC1 (0.49) NPC1RAB9AHPGDL3MBTL1KMT2A
SCHEMBL3083608 0.77 CCR6 (0.58) HPGDL3MBTL1TP53KMT2ALMNA
SCHEMBL6174141 0.77 LMNA (0.51) HPGDL3MBTL1TP53KMT2ALMNA
SCHEMBL10606452 0.75 KMT2A (0.55) NPC1RAB9AHPGDL3MBTL1TP53
SCHEMBL7611620 0.75 MAPT (0.62) NPC1RAB9AHPGDL3MBTL1KMT2A
SCHEMBL17064836 0.75 ALDH1A1 (0.50) NPC1RAB9AHPGDL3MBTL1TP53
SCHEMBL2175972 0.74 NPC1 (0.57) NPC1RAB9AHPGDL3MBTL1TP53
SCHEMBL31126882 0.74 LMNA (0.53) NPC1RAB9ATP53KMT2ALMNA
SCHEMBL1907159 0.73 NPC1 (0.61) NPC1RAB9AHPGDL3MBTL1KMT2A

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
WO-2020114150-A1 SYNTHESIS METHOD FOR SYNTHESIZING CARBAMATE USING DIMETHYL SULFOXIDE YLIDE, AMINE AND CARBON DIOXIDE 华南理工大学 2020-06-11 — — WO disclosed
Send feedback