SCHEMBL9329028

SCHEMBL9329028

CCC(CC)(CC)N(C)C(CC)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.33
GGPS1 O95749 3/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL11306475 0.71 FDPS (0.32) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL10697591 0.71 FDPS (0.39) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL10936504 0.70 FDPS (0.34) FDPSGGPS1
SCHEMBL11301592 0.65 MMP1 (0.35) FDPS
SCHEMBL3901347 0.65 FDPS (0.50) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9442591 0.64 FDPS (0.37) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL10764756 0.64 LMNA (0.33) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL1768259 0.61 FDPS (0.43) FDPSGGPS1
SCHEMBL6296955 0.61 FDPS (0.43) FDPSGGPS1
SCHEMBL246809 0.61 FDPS (0.43) FDPSGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300387-B1 Phenyl alkenylcarboxylic acids and their esters BASF AG (DE) 1994-03-23 EP disclosed
EP-0300387-A2 Phenyl alkenylcarboxylic acids and their esters BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed
US-4440779-A Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents MERCK & CO., INC. (US) 1984-04-03 US disclosed
EP-0068460-A1 Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents MERCK & CO. INC. (US) 1983-01-05 EP disclosed