SCHEMBL3671895

SCHEMBL3671895

CCCCP(CCCC)(CCCC)(CCCC)OS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CA2 P00918 6/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
TSHR P16473 5/20 0.39
CA7 P43166 2/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
HTR6 P50406 2/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4D Q08499 1/20 0.37
CA14 Q9ULX7 2/20 0.37
USP2 O75604 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL305722 0.85 SMN1; SMN2 (0.42) GAACA2CA12CA1CA9
SCHEMBL1638890 0.83 TDP1 (0.45) TSHRTDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL514092 0.81 MCHR1 (0.46) GAACA2CA12CA9TSHR
SCHEMBL524732 0.81 MCHR1 (0.46) GAACA2CA12CA9TSHR
SCHEMBL4607771 0.80 CA2 (0.54) CA2CA12CA1CA9LMNA
SCHEMBL9240232 0.80 TDP1 (0.41) CA2CA12CA1CA9TSHR
Hexadecylamine SCHEMBL7554404 0.80 MCHR1 (0.42) TSHRLMNACYP3A4CYP2C9CYP2C19
SCHEMBL9240349 0.79 RAPGEF4 (0.33) GAACA2CA12CA1CA9
Hydrochloric Acid SCHEMBL10968741 0.78 TDP1 (0.41) CA2CA12CA1CA9TSHR
SCHEMBL4456402 0.77 TDP1 (0.42) CA2CA12CA1CA9TSHR

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-8197931-B2 White polyester film and reflection sheet TORAY INDUSTRIES, INC. (JP) 2012-06-12 US disclosed
US-20100086736-A1 WHITE POLYESTER FILM AND REFLECTION SHEET TORAY INDUSTRIES, INC. (JP) 2010-04-08 US disclosed
EP-2128188-A1 WHITE POLYESTER FILM AND REFLECTIVE SHEET Toray Industries, Inc. (JP) 2009-12-02 EP disclosed