SCHEMBL11428280

SCHEMBL11428280

N/C=C/C=C/CCCCCCCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.40
TSHR P16473 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
NFKB1 P19838 1/20 0.35
SLC6A5 Q9Y345 2/20 0.33
FASN P49327 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL11428283 1.00 DNM1 (0.40) DNM1TSHRCA12CA1CA2
SCHEMBL2207605 0.87 DNM1 (0.47) DNM1TSHRCA12CA1CA2
SCHEMBL10933285 0.85
SCHEMBL3443778 0.81 DNM1 (0.47) DNM1TSHRCA12CA1CA2
SCHEMBL16390101 0.81 DNM1 (0.47) DNM1TSHRCA12CA1CA2
SCHEMBL16389879 0.81
SCHEMBL3443779 0.81 DNM1 (0.47) DNM1TSHRCA12CA1CA2
SCHEMBL16389898 0.81 DNM1 (0.47) DNM1TSHRCA12CA1CA2
SCHEMBL13443559 0.81
SCHEMBL16389815 0.81 DNM1 (0.47) DNM1TSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4218399-A FROM DIALDEHYDES IN BUTANOL SNIA VISDOSA Societa Nazionale Industria Applicazioni Viscosa S.p.A. (IT) 1980-08-19 US disclosed
US-4164508-A USED AS ANTISTATIC AGENTS AND MONOMERS FOR TEXTILES Snia Viscosa Societa' Nazionale Industria Viscosa S.p.A. (IT) 1979-08-14 US disclosed
US-4085127-A Method for producing aldehyde acids by selective ozonization of cyclo-olefins SNIA Viscosa Societa' Nazionale Industria Application Viscosa S.p.A. (IT) 1978-04-18 US disclosed