SCHEMBL9701044

SCHEMBL9701044

CCCC(O)(CC)OCCCN

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ODC1 P11926 1/20 0.31
EPHX1 P07099 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9702479 0.94 DNM1 (0.34) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL4425931 0.88 FDPS (0.31)
SCHEMBL28179501 0.76 FDPS (0.35) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL10884439 0.74 DNM1 (0.36) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL14359444 0.73 LPAR3 (0.41)
SCHEMBL216632 0.73 FDPS (0.32)
SCHEMBL12468266 0.72 LPAR3 (0.41) MEN1KMT2ATSHREPHX1
SCHEMBL4454457 0.70 LPAR3 (0.45) MEN1KMT2ATSHREPHX1
SCHEMBL20924884 0.69 CYP3A4 (0.35) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL19525642 0.69

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-5108880-A Developing agent, sulfite preservative and amino alcohol SUN CHEMICAL CORPORATION (US) 1992-04-28 US disclosed