Sugi Predict

Sugi Predict / Compounds / Dodecane

Dodecane

Dodecane

SCHEMBL11580698

CC(=O)OC1=CC(=O)c2ccccc2C1=O.CCCCCCCCCCCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 2/20 0.53
▸ CDC25B P30305 2/20 0.51
▸ IDO1 P14902 1/20 0.51
▸ CDC25A P30304 1/20 0.51
▸ SOAT1 P35610 10/20 0.51
▸ PTPN1 P18031 1/20 0.48
▸ GAPDH P04406 1/20 0.45
▸ PTPRC P08575 1/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ POLM Q9NP87 1/20 0.43
▸ POLK Q9UBT6 1/20 0.43
▸ POLL Q9UGP5 1/20 0.43
▸ POLH Q9Y253 1/20 0.43

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
SCHEMBL30661169 0.89 S100A4 (0.63) S100A4CDC25BIDO1CDC25ASOAT1
SCHEMBL637237 0.89 S100A4 (0.63) S100A4CDC25BIDO1CDC25ASOAT1
SCHEMBL9713908 0.81 CDC25B (0.56) S100A4CDC25BIDO1CDC25ASOAT1
SCHEMBL11247136 0.81 CDC25B (0.56) S100A4CDC25BIDO1CDC25ASOAT1
SCHEMBL9628579 0.81 CDC25B (0.56) S100A4CDC25BIDO1CDC25ASOAT1
SCHEMBL9444193 0.79 CDC25B (0.57) S100A4CDC25BIDO1CDC25ASOAT1
SCHEMBL9628020 0.77 CDC25B (0.59) S100A4CDC25BIDO1CDC25ASOAT1
SCHEMBL14439324 0.77 PTPN1 (0.62) S100A4CDC25BIDO1CDC25APTPN1
SCHEMBL16139537 0.75 S100A4 (0.55) S100A4CDC25BIDO1CDC25ASOAT1
SCHEMBL14566869 0.75 GAPDH (0.58) S100A4CDC25BIDO1CDC25AGAPDH

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-4082848-A MITICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-04-04 — — US disclosed