Sugi Predict

Sugi Predict / Compounds / Propene

Propene

Propene

SCHEMBL11695388

C=CC.Cc1cc(C)c(SS)c(C)c1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL896127 0.88 RAPGEF4 (0.39) RAPGEF4TP53TDP1MEN1KMT2A
Dimesityl Disulfide SCHEMBL11695386 0.83 RAPGEF4 (0.36) RAPGEF4TP53TDP1MEN1KMT2A
Dimesityl Disulfide SCHEMBL896126 0.72 RAPGEF4 (0.43) RAPGEF4TP53TDP1MEN1KMT2A
SCHEMBL6353240 0.69 CYP3A4 (0.46) TDP1MEN1KMT2A
Propene SCHEMBL29132844 0.68 ALDH1A1 (0.44) RAPGEF4TP53TDP1
SCHEMBL12705758 0.67 POLB (0.46) TP53TDP1MEN1KMT2A
SCHEMBL9935610 0.66 RAPGEF4 (0.43) RAPGEF4TP53TDP1MEN1KMT2A
SCHEMBL13212008 0.65 ERN1 (0.30) RAPGEF4
SCHEMBL758797 0.64 RAPGEF4 (0.41) RAPGEF4TP53TDP1MEN1KMT2A
Propene SCHEMBL11820479 0.64 TDP1 (0.44) RAPGEF4TP53TDP1MEN1KMT2A

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
US-4020149-A REACTING HYDROGEN SULFIDE AND SULFUR DIOXIDE IN A DISULFIDE SOLVENT EXXON RESEARCH AND ENGINEERING COMPANY (US) 1977-04-26 — — US disclosed
US-4020144-A DISULFIDE SOLVENT EXXON RESEARCH AND ENGINEERING COMPANY (US) 1977-04-26 — — US disclosed