SCHEMBL8842993

SCHEMBL8842993

COc1ccc(C(OCC(O)CNC(=O)CCCCCN)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
KCNH2 Q12809 2/20 0.43
KIF11 P52732 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HPGD P15428 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
MAPT P10636 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ASAH1 Q13510 1/20 0.40

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
SCHEMBL890354 0.93 ALDH1A1 (0.46) MMP2KCNH2KIF11MEN1KMT2A
SCHEMBL24383281 0.92 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HDAC6HPGD
SCHEMBL24383374 0.91 KMT2A (0.43) MEN1KMT2AALDH1A1HDAC6HPGD
SCHEMBL23373452 0.91 ASAH1 (0.51) MEN1KMT2AALDH1A1HDAC6HPGD
SCHEMBL20149858 0.90 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HDAC6HPGD
SCHEMBL20149856 0.89 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HDAC6HPGD
SCHEMBL25598334 0.86 ALDH1A1 (0.46) KIF11MEN1KMT2AALDH1A1HPGD
SCHEMBL16472145 0.85 ALDH1A1 (0.46) KIF11MEN1KMT2AALDH1A1HPGD
SCHEMBL14847398 0.85 ALDH1A1 (0.46) KIF11MEN1KMT2AALDH1A1HPGD
SCHEMBL25969983 0.85 ALDH1A1 (0.46) KIF11MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696251-A OLIGONUCLEOTIDES GEN-PROBE INCORPORATED (US) 1997-12-09 US disclosed
US-5585481-A VERSATILITY; NON-NUCLEOTIDE MONOMERIC UNIT HAVING A LIGAND AND FIRST AND SECOND COUPLING GROUPS WHICH ARE LINKED TO THE NON-NUCLEOTIDE MONOMERIC UNIT ; LABELS, INTERCALATORS, PROBES GEN-PROBE INCORPORATED (US) 1996-12-17 US disclosed
EP-0313219-B1 Non-nucleotide linking reagents for nucleotide probes GEN PROBE INC (US) 1996-05-08 EP disclosed
EP-0313219-A2 Non-nucleotide linking reagents for nucleotide probes GEN-PROBE INCORPORATED (US) 1989-04-26 EP disclosed