SCHEMBL8538221

SCHEMBL8538221

NN=CNc1cccc(C(CCCO)=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
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ESR2 Q92731 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 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
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 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
SCHEMBL8543794 0.86 CA1 (0.35) CA1CA2CA4MEN1KMT2A
SCHEMBL8542600 0.78 ERCC5 (0.41) CA1CA2CA4MEN1KMT2A
SCHEMBL8539554 0.77 CA1 (0.38) CA1CA2CA4MEN1KMT2A
SCHEMBL8537256 0.77 L3MBTL1 (0.40) CA1CA2CA4MEN1KMT2A
SCHEMBL8538198 0.76 CA1 (0.38) CA1CA2CA4MEN1KMT2A
SCHEMBL8542579 0.75 CA1 (0.39) CA1CA2CA4MEN1KMT2A
SCHEMBL6777725 0.74 RAB9A (0.50) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL8542659 0.74 CA1 (0.38) CA1CA2CA4MEN1KMT2A
SCHEMBL8538572 0.72 KMT2A (0.36) CA1CA2CA4MEN1KMT2A
SCHEMBL8542420 0.72 MAPK1 (0.37) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1

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