SCHEMBL8543794

SCHEMBL8543794

NN=CNc1cccc(C(CCC=O)=C(C(=O)O)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 1/20 0.35
PARP1 P09874 3/20 0.34
PARP15 Q460N3 3/20 0.34
PARP10 Q53GL7 3/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PARP14 Q460N5 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 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
SCHEMBL8538221 0.86 CA1 (0.35) CA1CA2CA4PARP1PARP15
SCHEMBL8542600 0.78 ERCC5 (0.41) CA1CA2CA4PARP1PARP15
SCHEMBL8539554 0.77 CA1 (0.38) CA1CA2CA4PARP1PARP15
SCHEMBL8537256 0.77 L3MBTL1 (0.40) CA1CA2CA4PARP1PARP15
SCHEMBL8538198 0.76 CA1 (0.38) CA1CA2CA4PARP1PARP15
SCHEMBL8542659 0.76 CA1 (0.38) CA1CA2CA4PARP1PARP15
SCHEMBL8542579 0.75 CA1 (0.39) CA1CA2CA4PARP1PARP15
SCHEMBL6777725 0.74 RAB9A (0.50) CA1CA2MEN1KMT2ANPC1
SCHEMBL8538572 0.72 KMT2A (0.36) CA1CA2CA4PARP1PARP15
SCHEMBL8538376 0.70 F2R (0.38) CA1CA2CA4PARP1PARP15

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
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed