SCHEMBL8772566

SCHEMBL8772566

CCCCCCC(Cl)(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.50
SMPD1 P17405 2/20 0.50
GGPS1 O95749 6/20 0.48
CES2 O00748 1/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45

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
SCHEMBL6052974 0.98 FDPS (0.48) FDPSSMPD1GGPS1
Lindane SCHEMBL10697298 0.92 FDPS (0.44) FDPSSMPD1GGPS1CES2
SCHEMBL16445975 0.90 FDPS (0.46) FDPSSMPD1GGPS1CES2
SCHEMBL3284980 0.82 SMPD1 (0.45) FDPSSMPD1CES2
SCHEMBL8422908 0.82 SMPD1 (0.45) FDPSSMPD1CES2
SCHEMBL658156 0.82 SMPD1 (0.45) FDPSSMPD1CES2
SCHEMBL6002240 0.82 SMPD1 (0.45) FDPSSMPD1CES2
SCHEMBL7619946 0.82 SMPD1 (0.45) FDPSSMPD1CES2
SCHEMBL8466412 0.82 SMPD1 (0.45) FDPSSMPD1CES2
SCHEMBL8464966 0.82 SMPD1 (0.45) FDPSSMPD1CES2

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
EP-0799249-A1 CATIONIC POLYURETHANE-BASED POLYMER DISPERSIONS HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed