SCHEMBL21112012

SCHEMBL21112012

C=CC(=O)OCC(COc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.60
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
MME P08473 2/20 0.41
CASP1 P29466 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 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
SCHEMBL35254 0.83 THRB (0.62) THRBTSHRKDM4EMEN1KMT2A
SCHEMBL11115581 0.83 CYP2C19 (0.49) THRBSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5495686 0.82 THRB (0.60) THRBTSHRSMN1; SMN2KDM4EMEN1
SCHEMBL22083641 0.82 TSHR (0.59) THRBTSHRSMN1; SMN2LMNACYP2C19
SCHEMBL17231286 0.81 THRB (0.59) THRBTSHRSMN1; SMN2KDM4EMEN1
Acrylic Acid SCHEMBL30342235 0.81 THRB (0.59) THRBTSHRKDM4EMEN1KMT2A
SCHEMBL12903943 0.81 THRB (0.59) THRBTSHRSMN1; SMN2KDM4EMEN1
SCHEMBL15623974 0.79 THRB (0.57) THRBTSHRSMN1; SMN2KDM4EMEN1
SCHEMBL15623977 0.79 THRB (0.57) THRBTSHRSMN1; SMN2KDM4EMEN1
SCHEMBL544765 0.78 THRB (0.56) THRBTSHRMEN1KMT2ALMNA

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
US-10676554-B2 Polymer compound, film obtained by hardening this polymer compound and electronic device comprising this film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-06-09 US disclosed
US-20190211123-A1 POLYMER COMPOUND, FILM OBTAINED BY HARDENING THIS POLYMER COMPOUND AND ELECTRONIC DEVICE COMPRISING THIS FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-11 US disclosed