SCHEMBL92976

SCHEMBL92976

CCCCC(C(=O)ON1C(=O)CCC1=O)N1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.37
CA1 P00915 3/20 0.37
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 3/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL92947 0.89 CA2 (0.33) CA2CA1ALDH1A1KMT2AATM
SCHEMBL23802513 0.86 CA2 (0.43) CA2CA1ALDH1A1KMT2AATM
SCHEMBL8654311 0.84 ALDH1A1 (0.36) CA2CA1ALDH1A1PKMKMT2A
SCHEMBL13441949 0.84 LMNA (0.39) CA2CA1ALDH1A1PKMKMT2A
SCHEMBL12275897 0.84 SMN1; SMN2 (0.36) CA2ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL18540023 0.83 CA2 (0.53) CA2CA1ALDH1A1ATMMAPK1
SCHEMBL19820110 0.83 CA2 (0.41) CA2CA1KMT2AMAPK1SMN1; SMN2
SCHEMBL19404107 0.83 CA2 (0.41) CA2CA1ALDH1A1KMT2AMAPK1
SCHEMBL20624810 0.82 CA2 (0.44) CA2CA1ALDH1A1KMT2AMAPK1
SCHEMBL24674795 0.82 CA2 (0.44) CA2CA1ALDH1A1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129159-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2012-03-06 US disclosed
US-20110009292-A1 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS, INC. (US) 2011-01-13 US disclosed
US-7829317-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2010-11-09 US disclosed
US-7691787-B2 Target molecule attachment to surfaces SURMODICS, INC. (US) 2010-04-06 US disclosed
US-20090042742-A1 Attachment of molecules to surfaces SURMODICS, INC. (US) 2009-02-12 US disclosed