SCHEMBL9645104

SCHEMBL9645104

CCCCCCCCCCCCCCCCCCSOC(=O)CCCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.55
DGKA P23743 1/20 0.43
THRB P10828 3/20 0.42
THRA P10827 1/20 0.42
LMNA P02545 2/20 0.41
KDM5A P29375 2/20 0.40
PAM P19021 2/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL11173661 0.88 DGKA (0.53) DGKALMNAPAMMAPTMAPK1
SCHEMBL9938326 0.83 DGKA (0.48) DGKATHRBLMNAPAMMAPT
SCHEMBL27427969 0.83 DGKA (0.45) DNM1DGKATHRBLMNAPAM
SCHEMBL27316330 0.83 DGKA (0.45) DGKATHRBLMNAMAPTTSHR
SCHEMBL9164192 0.80 CES2 (0.47) DGKATHRBLMNAPAMMAPT
SCHEMBL4447497 0.79 NAAA (0.50) DNM1DGKATHRBLMNAMAPT
SCHEMBL8368772 0.79 NAAA (0.50) DNM1DGKATHRBLMNAMAPT
SCHEMBL1994867 0.79 NAAA (0.50) DNM1DGKATHRBLMNAMAPT
SCHEMBL1992481 0.79 NAAA (0.50) DNM1DGKATHRBLMNAMAPT
SCHEMBL3683266 0.79 NAAA (0.50) DNM1DGKATHRBLMNAMAPT

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
EP-0255126-B1 2-ACYLOXYPROPYLAMINE DERIVATIVES, METHOD FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1992-10-14 EP disclosed
EP-0255126-A2 2-Acyloxypropylamine derivatives, method for their preparation and medicaments containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1988-02-03 EP disclosed