SCHEMBL9717612

SCHEMBL9717612

Oc1ccc(C(OCC2CO2)(c2ccc(O)cc2)C2CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
TP53 P04637 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 1/20 0.41
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL692302 0.83 MEN1 (0.49) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL16332237 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL5435654 0.79 ALDH1A1 (0.49) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL5439230 0.76 TSHR (0.46) ALDH1A1TSHRTP53HPGDMAPT
Acrylic Acid SCHEMBL1116301 0.76 MEN1 (0.40) ALDH1A1TSHRMEN1KMT2ATDP1
Adipic Acid SCHEMBL16106148 0.76 MGLL (0.43) MEN1KMT2ATDP1MGLL
Hydroquinone SCHEMBL50263 0.73 TSHR (0.48) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL217716 0.72 LMNA (0.53) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL791565 0.72 TSHR (0.49) ALDH1A1TSHRTP53HPGDMAPT
Bisphenol A SCHEMBL50024 0.72 TSHR (0.61) ALDH1A1TSHRTP53HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285976-B1 POLYPHENYLENE ETHER-BASED THERMOPLASTIC MOULDING COMPOUNDS BASF Aktiengesellschaft (DE) 1992-05-27 EP disclosed
EP-0285969-B1 THERMOPLASTIC MOLDING COMPOSITIONS ON THE BASIS OF POLYPHENYLENE ETHER BASF Aktiengesellschaft (DE) 1992-05-27 EP disclosed