SCHEMBL9860581

SCHEMBL9860581

CCCCCCCCCCCCCCCCC(O)(O)C(N)=O.NCCCCCCN

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
EPHX1 P07099 1/20 0.50
SMPD1 P17405 2/20 0.44
FDPS P14324 1/20 0.44

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
SCHEMBL5575257 0.92 FDPS (0.47) SMPD1FDPS
SCHEMBL5575514 0.92 FDPS (0.47) SMPD1FDPS
SCHEMBL8016903 0.92 FDPS (0.47) SMPD1FDPS
SCHEMBL2810471 0.92 FDPS (0.47) SMPD1FDPS
SCHEMBL7880146 0.90 FDPS (0.45) SMPD1FDPS
Ethylene SCHEMBL933388 0.88 FDPS (0.44) SMPD1FDPS
Cyclohexane SCHEMBL1967354 0.86 FDPS (0.42) SMPD1FDPS
SCHEMBL9282122 0.83 FDPS (0.41) FDPS
Octadecanoic Acid Amide SCHEMBL28078346 0.81 SOAT1 (0.50) MEN1KMT2ASMPD1FDPS
SCHEMBL7190941 0.81 FAAH (0.59) MEN1KMT2A

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
US-4981899-A OLEFIN RUBBER, UNSATD POLYSILOXANE, SILICA, ALKYLENEDIAMINE BISAMIDE, VULCANIZING AGENT, ANTISTAINING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-01-01 US disclosed