SCHEMBL11213046

SCHEMBL11213046

CCCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)O[Ti](=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.41
SMPD1 P17405 5/20 0.40
FDPS P14324 9/20 0.39
CES2 O00748 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL5861642 0.93 LMNA (0.46) GGPS1SMPD1FDPS
SCHEMBL10799271 0.89 LMNA (0.41) GGPS1SMPD1FDPS
SCHEMBL10794238 0.79 SMPD1 (0.41) GGPS1SMPD1FDPSCES2
SCHEMBL918183 0.79 SMPD1 (0.41) GGPS1SMPD1FDPSCES2LPAR1
SCHEMBL8469558 0.73 GGPS1 (0.33) GGPS1SMPD1FDPSCES2LPAR1
SCHEMBL142411 0.72 FDPS (0.33) FDPS
SCHEMBL8927236 0.70 TSHR (0.42) GGPS1SMPD1FDPSCES2LPAR1
SCHEMBL3788093 0.70 CES2 (0.45) GGPS1SMPD1FDPSCES2
SCHEMBL11839460 0.70 CES2 (0.45) GGPS1SMPD1FDPSCES2
SCHEMBL7782349 0.70 CES2 (0.45) GGPS1SMPD1FDPSCES2

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-4351926-A Heat curable polymer UNION CARBIDE CORPORATION (US) 1982-09-28 US disclosed