SCHEMBL4544186

SCHEMBL4544186

CCC(CCCCCCCCCCCCCO)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.44
CA1 P00915 4/20 0.44
MAPK1 P28482 1/20 0.43
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KISS1R Q969F8 1/20 0.36
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL1715014 1.00 CA2 (0.44) CA2CA1MAPK1MMP1MMP2
SCHEMBL29968461 0.84 CA2 (0.56) CA2CA1MAPK1
SCHEMBL2495651 0.84 CA2 (0.56) CA2CA1MAPK1
SCHEMBL29488726 0.84 CA2 (0.56) CA2CA1MAPK1
SCHEMBL7898617 0.84 HDAC7 (0.46) CA2CA1MAPK1LMNATSHR
SCHEMBL2187996 0.84 CA2 (0.56) CA2CA1MAPK1
SCHEMBL14535364 0.84 CA2 (0.56) CA2CA1MAPK1
SCHEMBL5692168 0.84 CA2 (0.56) CA2CA1MAPK1
SCHEMBL8042218 0.84 MMP1 (0.40) CA2MMP1MMP2MMP3MMP7
SCHEMBL3686551 0.83 CA2 (0.65) CA2CA1MAPK1

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-1379310-B1 VARIABLE STIFFNESS HEATING CATHETER MICRUS ENDOVASCULAR CORP (US) 2009-11-18 EP claimed
EP-0457692-B1 Cyanate resin-based foams HEXCEL CORP (US) 1995-09-06 EP claimed