SCHEMBL13745541

SCHEMBL13745541

CCCC1CCCCC1OC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL1438494 0.87 CYP1A2 (0.45) CA1CA2CA4KDM4ECYP1A2
SCHEMBL1437814 0.81 KDM4E (0.45) CA1CA2CA4KDM4EALDH1A1
SCHEMBL27117987 0.81 KDM4E (0.45) CA1CA2CA4KDM4EALDH1A1
SCHEMBL16229734 0.81 KDM4E (0.45) CA1CA2CA4KDM4EALDH1A1
SCHEMBL21227367 0.81 KDM4E (0.45) CA1CA2CA4KDM4EALDH1A1
SCHEMBL25741004 0.81 KDM4E (0.45) CA1CA2CA4KDM4EALDH1A1
SCHEMBL20418906 0.81 CA1 (0.41) CA1CA2CA4KDM4E
SCHEMBL29314984 0.80 CA1 (0.48) CA1CA2CA4ADRA2AADRA2B
SCHEMBL20449076 0.80 KDM4E (0.37) CA1CA2CA4KDM4EALDH1A1
SCHEMBL11591596 0.77 CA1 (0.67) CA1CA2CA4ADRA2AADRA2B

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-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
WO-2009097113-A2 OXAZOLE AND THIAZOLE COMPOUNDS AS B-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2009-08-06 WO disclosed