SCHEMBL7990815

SCHEMBL7990815

CCCCCC(C)([C]=O)[C]=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.38
GGPS1 O95749 7/20 0.38
SMPD1 P17405 2/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL7720314 0.97 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL7715284 0.97 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL7722417 0.97 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL424188 0.79 FDPS (0.38) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL2368059 0.77 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL8176550 0.77 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL1410606 0.77 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL5497688 0.77 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL5497444 0.77 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL5035850 0.77 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297400-B1 CHELATING AGENTS FOR IMPROVED WASHFASTNESS OF DYE WHEN IN A BLEACHING ENVIRONMENT THE CLOROX COMPANY 2001-10-02 US disclosed