Sugi Predict

Sugi Predict / Compounds / SCHEMBL2689132

SCHEMBL2689132

SCHEMBL2689132

CC=CC1=C(C)C(C)CCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL4418524 0.81 CA1 (0.41) CA1CA2CA4KMT2A
SCHEMBL3668700 0.81 CA1 (0.41) CA1CA2CA4KMT2A
SCHEMBL2688325 0.77 CA1 (0.37) CA1CA2CA4KMT2A
SCHEMBL12644837 0.73 SLC6A3 (0.31) SLC6A3
SCHEMBL21534909 0.72 — —
SCHEMBL19426999 0.71 SLC6A3 (0.42) SLC6A3
SCHEMBL12644092 0.71 HTR6 (0.34) —
SCHEMBL18545393 0.70 SLC6A3 (0.39) SLC6A3
SCHEMBL2687387 0.70 SLC6A3 (0.39) SLC6A3
SCHEMBL11744054 0.69 CA1 (0.31) CA1CA2CA4KMT2A

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-8168842-B2 Process for the alkylation of a cycloalkene SHELL OIL COMPANY (US) 2012-05-01 — — US disclosed
US-20090227824-A1 PROCESS FOR THE ALKYLATION OF A CYCLOALKENE SHELL OIL COMPANY 2009-09-10 — — US disclosed
WO-2007135047-A1 PROCESS FOR THE ALKYLATION OF A CYCLOALKENE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-11-29 — — WO disclosed