SCHEMBL29639604

SCHEMBL29639604

CCOCCOC(=O)N1CC=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
P2RX4 Q99571 5/20 0.39
ALDH1A1 P00352 3/20 0.38
BCHE P06276 3/20 0.36
P2RX1 P51575 2/20 0.36
P2RX3 P56373 2/20 0.36
PTBP1 P26599 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX7 Q99572 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ADORA1 P30542 1/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL411007 1.00 SMN1; SMN2 (0.44) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL29549990 0.89 SMN1; SMN2 (0.53) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL205655 0.89 SMN1; SMN2 (0.53) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL6110992 0.88 SMN1; SMN2 (0.44) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL3638042 0.87 LMNA (0.69) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL3719677 0.86 BCHE (0.50) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL6110401 0.79 P2RX4 (0.64) SMN1; SMN2LMNAP2RX4ALDH1A1P2RX1
SCHEMBL27785934 0.78 P2RX4 (0.58) SMN1; SMN2LMNAP2RX4BCHEP2RX1
SCHEMBL28802473 0.77 P2RX4 (0.63) SMN1; SMN2P2RX4ALDH1A1P2RX1P2RX3
SCHEMBL22264116 0.76 P2RX4 (0.41) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112830984-B Design and preparation method of non-woven fabric material capable of being disinfected by chlorine dioxide 厦门市添孚卫生科技有限公司 2023-09-05 CN claimed
CN-111094281-B Chemical process for preparing monolactam antibiotics and intermediates thereof 诺华股份有限公司 2023-08-29 CN claimed
EP-3661933-B1 PROCESS FOR PREPARING 1-(((Z)-(1-(2-AMINOTHIAZOL-4-YL)-2-OXO-2-(((3S,4R)-2-OXO-4-((2-OXOOXAZOLIDIN-3-YL)METHYL)-1-SULFOAZETIDIN-3- YL)AMINO)ETHYLIDENE)AMINO)OXY)CYCLOPROPANE CARBOXYLIC ACID NOVARTIS AG (CH) 2022-03-23 EP claimed
CN-112830984-B Design and preparation method of non-woven fabric material capable of being disinfected by chlorine dioxide 厦门市添孚卫生科技有限公司 2023-09-05 CN disclosed
CN-111094281-B Chemical process for preparing monolactam antibiotics and intermediates thereof 诺华股份有限公司 2023-08-29 CN disclosed