SCHEMBL6049060

SCHEMBL6049060

C=COCC1CCC(C(c2cc(C(=O)O)ccc2C(=O)O)C2CCC(COC=C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.38
ACE2 Q9BYF1 2/20 0.35
RXRA P19793 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TSHR P16473 1/20 0.31
MAP4K4 O95819 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTPN1 P18031 1/20 0.30
GCK P35557 1/20 0.30

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
SCHEMBL2456726 0.81 NR1H4 (0.38) NR1H4ACE2PARP15PARP10PARP2
SCHEMBL702949 0.81 NR1H4 (0.38) NR1H4ACE2PARP15PARP10PARP2
SCHEMBL5859592 0.75 NR1H4 (0.35) NR1H4PARP15PARP10PARP2MAP4K4
SCHEMBL216951 0.73 PARP15 (0.32) PARP15PARP10PARP2
SCHEMBL2456728 0.72 DRD2 (0.44) NR1H4PARP15PARP10PARP2
SCHEMBL5859588 0.71 PARP15 (0.36) NR1H4PARP15PARP10PARP2TSHR
SCHEMBL25277718 0.71 NR1H4 (0.43) NR1H4
SCHEMBL3722748 0.70 GRIK1 (0.46) TSHR
SCHEMBL218978 0.69 DRD2 (0.45) PARP15PARP10PARP2
SCHEMBL6532504 0.67 RARB (0.33) ACE2RXRAKDM4E

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
EP-1373339-B1 SHAPE MEMORY STYRENE COPOLYMER JOHNSON & JOHNSON VISION CARE (US) 2006-01-18 EP claimed