SCHEMBL3963248

SCHEMBL3963248

CCCCCCCCCCCCCCC1(C=O)CC1.O=C1CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
ALOX5 P09917 2/20 0.35
CYP19A1 P11511 13/20 0.34
TSHR P16473 1/20 0.32
CETP P11597 2/20 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
SCHEMBL3181124 0.85 TSHR (0.42) SIRT2TSHR
SCHEMBL3192661 0.85 TSHR (0.42) SIRT2TSHR
SCHEMBL3188358 0.85 TSHR (0.42) SIRT2TSHR
SCHEMBL3963526 0.85 TSHR (0.42) SIRT2TSHR
SCHEMBL3193317 0.83 TSHR (0.39) SIRT2TSHR
SCHEMBL11845791 0.80 SIRT2 (0.37) SIRT2CYP19A1TSHR
SCHEMBL9646862 0.80 TSHR (0.38) SIRT2TSHRCETP
SCHEMBL11503129 0.80 TSHR (0.38) SIRT2TSHRCETP
SCHEMBL22098328 0.79 TSHR (0.36) SIRT2TSHR
SCHEMBL28756563 0.79 TSHR (0.36) SIRT2TSHRCETP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542981-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-4,5,6,7-TETRAHYDRO-6-AMINOBENZOTHIAZOLES FROM CYCLOHEXANES AND CYCLOHEXANONES AS INTERMEDIATES GENERICS UK LTD (GB) 2009-07-22 EP claimed
EP-1023273-B1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-05 EP disclosed
EP-1023273-A1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5T H1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 2000-08-02 EP disclosed
WO-1999020613-A1 CYCLOHEXANE DERIVATIVES DIFUNCTIONALISED IN 1,4 AS LIGANDS OF 5T H1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 1999-04-29 WO disclosed