SCHEMBL9800726

SCHEMBL9800726

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nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.45
TASP1 Q9H6P5 1/20 0.40
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
KMT2A Q03164 2/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MME P08473 3/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
BMP1 P13497 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL9800724 0.88 FOLH1 (0.49) TGFBR1MME
SCHEMBL9800723 0.88 FOLH1 (0.49) TGFBR1MME
SCHEMBL2920459 0.84 KMT2A (0.47) TGFBR1CA2CA1KMT2AMMP2
SCHEMBL7046561 0.84 KMT2A (0.47) TGFBR1CA2CA1KMT2AMMP2
SCHEMBL31289501 0.80 KMT2A (0.50) TGFBR1TASP1CA2CA1KMT2A
SCHEMBL9073938 0.79 KMT2A (0.42) CA2CA1KMT2AALOX15BLM
SCHEMBL28155914 0.79 KMT2A (0.42) CA2CA1KMT2AALOX15BLM
SCHEMBL30903444 0.79 TGFBR1 (0.45) TGFBR1TASP1CA2CA1KMT2A
SCHEMBL30933103 0.79 TGFBR1 (0.45) TGFBR1TASP1CA2CA1KMT2A
SCHEMBL10804027 0.78 FNTA (0.45) CA2CA1

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
US-5017690-A Deblocking N-formyl aspartame compounds W. R. GRACE & CO.-CONN. (US) 1991-05-21 US disclosed