SCHEMBL14743308

SCHEMBL14743308

C=C([C]=O)C(C)(C)CCCCC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.36
GGPS1 O95749 7/20 0.36
SMPD1 P17405 2/20 0.34
CES2 O00748 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL17394605 0.79 FDPS (0.33) FDPS
SCHEMBL10813162 0.78 GGPS1 (0.35) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL1032141 0.75 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL3072520 0.73 FDPS (0.37) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL28581939 0.73 GGPS1 (0.41) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL19666943 0.72 FFAR1 (0.41) FDPSGGPS1SMPD1
SCHEMBL4863854 0.71 FDPS (0.35) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL22040406 0.71 GGPS1 (0.40) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL3395674 0.71 FDPS (0.35) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL4863856 0.71 FDPS (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750673-A1 TRANSDERMAL THERAPEUTIC SYSTEM FOR 5-AMINOLEVULINIC ACID HYDROCHLORIDE LTS LOHMANN Therapie-Systeme AG (DE) 2014-07-09 EP disclosed
WO-2013030129-A1 TRANSDERMAL THERAPEUTIC SYSTEM FOR 5-AMINOLEVULINIC ACID HYDROCHLORIDE LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2013-03-07 WO disclosed