SCHEMBL11054517

SCHEMBL11054517

O=C(Cc1cccc(O)c1O)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 4/20 0.49
▸ MEP1B Q16820 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ AKR1B1 P15121 1/20 0.44
▸ ALOX15 P16050 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MMP2 P08253 3/20 0.42
▸ MMP9 P14780 3/20 0.42
▸ MMP12 P39900 3/20 0.42
▸ MMP8 P22894 2/20 0.42
▸ MMP14 P50281 2/20 0.42
▸ DBH P09172 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MMP16 P51512 1/20 0.42

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
SCHEMBL19710337 0.88 IAPP (0.42) IAPPMEP1BKMT2AAKR1B1
SCHEMBL28400880 0.84 MEN1 (0.45) KMT2AMEN1HDAC8HDAC6ALDH1A1
SCHEMBL28717700 0.79 IAPP (0.56) IAPPAKR1B1ALOX15MMP2MMP9
SCHEMBL19304783 0.79 AKR1B1 (0.47) IAPPKMT2AAKR1B1ALDH1A1LMNA
SCHEMBL8791 0.78 AKR1B1 (0.72) IAPPKMT2AMEN1AKR1B1ALOX15
SCHEMBL29829095 0.78 AKR1B1 (0.72) IAPPKMT2AMEN1AKR1B1ALOX15
SCHEMBL31013617 0.76 IAPP (0.67) IAPPAKR1B1ALOX15MMP2MMP9
SCHEMBL1426061 0.76 IAPP (0.67) IAPPAKR1B1ALOX15MMP2MMP9
SCHEMBL11029713 0.76 GAA (0.53) IAPPAKR1B1ALOX15MMP2MMP9
SCHEMBL25285645 0.76 IAPP (0.51) IAPPAKR1B1ALOX15TP53MAPK1

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-4448730-A ANTITUMOR AGENTS RIET BARTHOLOMEUS VAN T 1984-05-15 — — US disclosed
Send feedback