SCHEMBL27945705

SCHEMBL27945705

CC(COc1ccc(C(C)(C)c2ccc(OCC(C)CC(C)OCC3CO3)cc2)cc1)CC(C)OCC1CO1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KMT2A Q03164 4/20 0.62
TP53 P04637 3/20 0.62
TSHR P16473 3/20 0.62
MEN1 O00255 3/20 0.62
HIF1A Q16665 3/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.62
CYP1A2 P05177 1/20 0.62
PPARG P37231 1/20 0.62
HTT P42858 1/20 0.39
AR P10275 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB2 P49721 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL194944 0.90 ALDH1A1 (0.68) ALDH1A1KMT2ATP53TSHRMEN1
SCHEMBL24856805 0.87 ALDH1A1 (0.65) ALDH1A1KMT2ATP53TSHRMEN1
SCHEMBL26703804 0.87 ALDH1A1 (0.65) ALDH1A1KMT2ATP53TSHRMEN1
SCHEMBL27641858 0.86 TSHR (0.41) ALDH1A1KMT2ATP53TSHRMEN1
SCHEMBL26645460 0.85 KMT2A (0.80) ALDH1A1KMT2ATP53TSHRMEN1
SCHEMBL13385074 0.85 KMT2A (0.80) ALDH1A1KMT2ATP53TSHRMEN1
SCHEMBL21065816 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ATP53TSHRMEN1
SCHEMBL17922238 0.84 KMT2A (0.58) ALDH1A1KMT2ATP53TSHRMEN1
SCHEMBL18373646 0.84 KMT2A (0.60) ALDH1A1KMT2ATP53TSHRMEN1
SCHEMBL14626470 0.83 KMT2A (0.59) ALDH1A1KMT2ATP53TSHRMEN1

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
CN-103443072-A Polymerizable composition comprising oxime sulfonate as thermal curing agent BASF SE 2013-12-11 CN disclosed