SCHEMBL21397726

SCHEMBL21397726

CC(=O)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccccc2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
SIRT1 Q96EB6 1/20 0.41
HDAC1 Q13547 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
SRD5A2 P31213 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL21397389 0.89 MAPT (0.46) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL21397724 0.86 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL21397390 0.85 CYP2D6 (0.47) NR1H4EPHX2ALDH1A1MEN1KMT2A
SCHEMBL21397654 0.85 CYP2D6 (0.46) NR1H4ALDH1A1MEN1KMT2AMAPT
SCHEMBL22914740 0.81 LMNA (0.46) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL21397725 0.80 NPC1 (0.46) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL11129005 0.76 NR1H4 (0.50) NR1H4EPHX2MEN1KMT2ASIRT1
SCHEMBL397829 0.76 EPHX2 (0.65) NR1H4EPHX2ALDH1A1MEN1KMT2A
Benzophenone SCHEMBL28080185 0.72 SRD5A2 (0.67) NR1H4EPHX2ALDH1A1MEN1KMT2A
SCHEMBL29012584 0.71 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTRAB9A

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
WO-2019181714-A1 COMPOUND WHICH INHIBITS TELOMERE-BINDING PROTEIN, AND TELOMERE-BINDING PROTEIN INHIBITOR CONTAINING SAME 国立大学法人広島大学 2019-09-26 WO disclosed