SCHEMBL21264339

SCHEMBL21264339

CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CS2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
TP53 P04637 3/20 0.80
TSHR P16473 3/20 0.80
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
HIF1A Q16665 3/20 0.80
MAPT P10636 2/20 0.80
HPGD P15428 2/20 0.80
CYP1A2 P05177 1/20 0.80
PPARG P37231 1/20 0.80
TDP1 Q9NUW8 1/20 0.49
PKM P14618 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 1/20 0.44
GLA P06280 1/20 0.39
GRM2 Q14416 2/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 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
SCHEMBL31392960 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL1402906 0.89 KMT2A (0.60) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL13317132 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL22121 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL12440176 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL12065399 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL17925477 0.89 ALDH1A1 (1.00) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL30725 0.85 ALDH1A1 (0.90) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL8140261 0.85 ALDH1A1 (0.90) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL15934083 0.85 ALDH1A1 (0.90) ALDH1A1TP53TSHRMEN1KMT2A

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-2019155169-A1 DIFUNCTIONAL BIPHENYL COMPOUNDS, PREPARATION, AND USES ARIANEGROUP SAS (FR) 2019-08-15 WO disclosed