SCHEMBL6134861

SCHEMBL6134861

O=C(Cl)CCCCCC(C(=O)Cl)C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.42
GSTK1 Q9Y2Q3 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL3268651 0.98 ALDH1A1 (0.46) ALDH1A1TSHRTP53GSTK1
SCHEMBL3269271 0.90 ALDH1A1 (0.46) ALDH1A1TSHRTP53
SCHEMBL3271707 0.79 TSHR (0.41) ALDH1A1TSHRTP53
SCHEMBL15064254 0.79 ALDH1A1 (0.48) ALDH1A1TSHRTP53GSTK1FFAR4
SCHEMBL466419 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR4FFAR1
SCHEMBL494288 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR4FFAR1
SCHEMBL2154814 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR4FFAR1
SCHEMBL495310 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR4FFAR1
SCHEMBL496221 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR4FFAR1
SCHEMBL2154041 0.79 TSHR (0.72) ALDH1A1TSHRTP53FFAR4FFAR1

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
EP-1506168-A2 GELLING AGENTS Applied NanoSystems B.V. (NL) 2005-02-16 EP disclosed
WO-2003097587-A2 GELLING AGENTS APPLIED NANOSYSTEMS B.V. (NL) 2003-11-27 WO disclosed