SCHEMBL8561753

SCHEMBL8561753

C=CC(=O)Oc1ccc(C(C)Cc2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
TP53 P04637 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ACACB O00763 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL131373 0.86 ALDH1A1 (0.53) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL13005355 0.84 ALDH1A1 (0.54) THRBTP53TSHRALDH1A1MAPT
SCHEMBL10691467 0.82 ESR1 (0.58) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL7603904 0.81 ALDH1A1 (0.50) THRBTP53TSHRALDH1A1MAPT
SCHEMBL6757523 0.80 KMT2A (0.45) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL4437074 0.80 TDP1 (0.59) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL4437068 0.80 TDP1 (0.59) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL1395971 0.78 THRB (0.54) THRBMEN1KMT2APPARGESR1
SCHEMBL966896 0.78 ALDH1A1 (0.70) THRBTP53TSHRALDH1A1MAPT
SCHEMBL28865920 0.78 ALDH1A1 (0.58) TP53TSHRALDH1A1MAPTHPGD

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
US-5741543-A CONTAINING UNSATURATED MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-04-21 US disclosed