SCHEMBL7723145

SCHEMBL7723145

COC(=O)CCc1cc(-c2nc3ccccc3s2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 3/20 0.45
RPS6KB2 Q9UBS0 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 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
SCHEMBL7642933 0.87 AGPAT2 (0.47) KMT2ASMN1; SMN2RAB9ANPC1GAA
SCHEMBL6457663 0.85 L3MBTL1 (0.46) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7931248 0.82 L3MBTL1 (0.42) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7723149 0.79 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL28280389 0.78 GAA (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL490767 0.76 GAA (0.67) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2774898 0.76 TNF (0.55) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3006059 0.76 GAA (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
Methane SCHEMBL9226524 0.75 GAA (0.65) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7647695 0.75 GAA (0.65) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548585-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM Merck Patent GmbH (DE) 2019-10-09 EP disclosed
WO-2018099879-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2018-06-07 WO disclosed
EP-1263842-A2 HYPERBRANCHED AMPHIPHILIC POLYMERIC ADDITIVES AND POLYMER COMPOSITIONS WITH INCREASED SURFACE ENERGY Ciba SC Holding AG (CH) 2002-12-11 EP disclosed
WO-2001058987-A2 HYPERBRANCHED AMPHIPHILIC POLYMERIC ADDITIVES AND POLYMER COMPOSITIONS WITH INCREASED SURFACE ENERGY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-16 WO disclosed
EP-1105373-A1 UNSATURATED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS Ciba SC Holding AG (CH) 2001-06-13 EP disclosed
WO-2000010972-A1 NEW UNSATURATED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-02 WO disclosed