Sugi Predict

Sugi Predict / Compounds / SCHEMBL7882602

SCHEMBL7882602

SCHEMBL7882602

CCCC1CCCCC1(C)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TRPA1 O75762 3/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ SLC18A3 Q16572 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
SCHEMBL18595190 1.00 CA1 (0.38) CA1CA2CA4ALDH1A1L3MBTL1
Water SCHEMBL28036378 0.98 CA1 (0.36) CA1CA2CA4ALDH1A1L3MBTL1
SCHEMBL16765904 0.94 CA1 (0.34) CA1CA2CA4
SCHEMBL10486952 0.85 CA1 (0.39) CA1CA2CA4CYP1A2
Water SCHEMBL28822891 0.85 TDP1 (0.36) ALDH1A1CYP1A2
Water SCHEMBL28036000 0.83 EPHX1 (0.35) ALDH1A1CYP1A2
SCHEMBL25045154 0.83 ALDH1A1 (0.34) ALDH1A1L3MBTL1TRPA1SLC18A3
SCHEMBL5494404 0.83 ALDH1A1 (0.34) ALDH1A1L3MBTL1TRPA1SLC18A3
SCHEMBL16229736 0.83 ALDH1A1 (0.34) ALDH1A1L3MBTL1TRPA1SLC18A3
SCHEMBL19263000 0.82 TDP1 (0.45) CYP1A2

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
WO-2001027234-A1 CLEANING AGENT COMPONENTS WITH DUAL-CONTROLLED FRAGRANCE RELEASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-04-19 — — WO disclosed