SCHEMBL100635

SCHEMBL100635

Cc1cc(CO)ccc1NC(=O)CCCc1ccc(-c2ccccc2)c(NC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
HDAC1 Q13547 3/20 0.46
SOAT1 P35610 2/20 0.46
HCAR2 Q8TDS4 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL101142 0.93 AKR1C3 (0.53) MEN1LMNAGAAKMT2AL3MBTL1
SCHEMBL101215 0.88 NPC1 (0.47) MEN1LMNAGAAKMT2AL3MBTL1
SCHEMBL100918 0.88 AKR1C3 (0.46) MEN1KMT2AAKR1C3AKR1C2HDAC1
SCHEMBL98803 0.88 POLB (0.50) MEN1KMT2AL3MBTL1AKR1C3AKR1C2
SCHEMBL101223 0.85 HDAC1 (0.51) MEN1KMT2AAKR1C3AKR1C2HDAC1
SCHEMBL99412 0.83 HCAR2 (0.47) MEN1LMNAKMT2AAKR1C3AKR1C2
SCHEMBL662835 0.82 CHRM3 (0.55)
SCHEMBL101623 0.82 HDAC2 (0.48) MEN1KMT2AHDAC1SOAT1HCAR2
SCHEMBL99701 0.81 AKR1C3 (0.53) MEN1KMT2AAKR1C3AKR1C2HCAR2
SCHEMBL99615 0.81 RAB9A (0.55) MEN1LMNAGAAKMT2AL3MBTL1

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
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed