SCHEMBL5604828

SCHEMBL5604828

CCCC(CCc1nn[nH]n1)[C@@H]1CCC(=O)[C@@H]1CCC(O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.43
PTGER2 P43116 2/20 0.38
CYSLTR1 Q9Y271 4/20 0.36
PIN1 Q13526 2/20 0.35
CYSLTR2 Q9NS75 3/20 0.34
FFAR2 O15552 3/20 0.33

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
SCHEMBL7944211 0.80 PTGER4 (0.36) PTGER4PTGER2CYSLTR1PIN1CYSLTR2
SCHEMBL5075349 0.80 PTGER4 (0.52) PTGER4PTGER2
SCHEMBL5072194 0.66 PTGER2 (0.39) PTGER4PTGER2
SCHEMBL6558651 0.64 PTGER3 (0.61) PTGER4PTGER2
SCHEMBL5075346 0.64 PTGER4 (0.46) PTGER4CYSLTR1PIN1CYSLTR2FFAR2
SCHEMBL11711444 0.64 PTGER2 (0.41) PTGER4PTGER2
SCHEMBL7886844 0.64 PTGER2 (0.41) PTGER4PTGER2
SCHEMBL12827125 0.62 CA12 (0.41) CYSLTR1FFAR2
SCHEMBL6556634 0.61 PTGER4 (0.55) PTGER4PTGER2
SCHEMBL5617449 0.61 TRPA1 (0.52)

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-7255984-B2 Combination therapy for osteoporosis PFIZER INC. (US) 2007-08-14 US claimed