SCHEMBL4655895

SCHEMBL4655895

CCCCCCCCCCC(C)([O])CCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.52
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
FDPS P14324 9/20 0.44
SMPD1 P17405 2/20 0.43
CES2 O00748 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43

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
SCHEMBL2346919 1.00 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL23716824 1.00 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2351494 0.89 GGPS1 (0.48) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL6159229 0.89 GGPS1 (0.48) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL2349164 0.88 FDPS (0.39) GGPS1TSHRTHRBFDPSCES2
SCHEMBL5048403 0.86 GGPS1 (0.44) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL15844298 0.85 GGPS1 (0.45) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL3622507 0.82 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL3618351 0.82 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1
SCHEMBL3623512 0.82 GGPS1 (0.52) GGPS1TSHRTHRBFDPSSMPD1

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-1627646-B1 Cleaning and disinfecting agent for medical instruments with improved effectiveness against Hepatitis B Virus BODE CHEMIE GMBH & CO KG (DE) 2008-12-03 EP disclosed
EP-1627646-A1 Cleaning and disinfecting agent for medical instruments with improved effectiveness against Hepatitis B Virus Bode Chemie GmbH & Co. (DE) 2006-02-22 EP disclosed