SCHEMBL2049895

SCHEMBL2049895

N#CC(=CCCCC(=O)O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
MAPT P10636 3/20 0.35
ABCC4 O15439 1/20 0.35
PPARG P37231 4/20 0.35
TOP1 P11387 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP19A1 P11511 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
F7 P08709 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
F3 P13726 1/20 0.35
RXRA P19793 1/20 0.35
PTGS1 P23219 1/20 0.35
OXER1 Q8TDS5 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
SCHEMBL7522292 0.69 KDM4E (0.44) TSHRKMT2AALOX15HSD17B10KDM4E
SCHEMBL29288162 0.68 MAPT (0.47) LMNATSHRNFKB1PMP22MAPT
SCHEMBL10594848 0.66 FNTA (0.60) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL15272171 0.66 EP300 (0.56) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL5320548 0.66 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
Hydrochloric Acid SCHEMBL6339249 0.64 LMNA (0.46) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL15571633 0.64 LMNA (0.40) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL18035212 0.64 PPARG (0.67) LMNASLC22A6MAPTPPARGTOP1
SCHEMBL4453779 0.64 PPARG (0.67) LMNASLC22A6MAPTPPARGTOP1
SCHEMBL4453776 0.64 PPARG (0.67) LMNASLC22A6MAPTPPARGTOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032344-B1 MEDICAL DEVICES AND RELATED SYSTEMS AND METHODS BOSTON SCIENT LTD (BB) 2011-06-22 EP disclosed
US-7718106-B2 Medical devices and related systems and methods BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-05-18 US disclosed
US-20080097396-A1 Medical devices and related systems and methods BOSTON SCIENTIFIC SCIMED, INC. 2008-04-24 US disclosed