SCHEMBL21112010

SCHEMBL21112010

C=Cc1ccc(C(=O)OCOCCOC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
ABCB11 O95342 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2B P18089 1/20 0.44
OPRD1 P41143 1/20 0.44
SCN5A Q14524 1/20 0.44
SNCA P37840 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 3/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
KDR P35968 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL26920467 0.90 CYP3A4 (0.54) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B
SCHEMBL20465899 0.90 CYP3A4 (0.54) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B
SCHEMBL20465896 0.90 CYP3A4 (0.54) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B
SCHEMBL20465900 0.90 CYP3A4 (0.54) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B
SCHEMBL20465901 0.90 CYP3A4 (0.54) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B
SCHEMBL1889774 0.90 CYP3A4 (0.54) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B
SCHEMBL20465897 0.90 CYP3A4 (0.54) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B
SCHEMBL14407325 0.88 TSHR (0.50) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B
SCHEMBL16694220 0.86 TAS1R3 (0.47) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B
SCHEMBL24292283 0.85 CYP3A4 (0.50) TAS1R3TAS1R1ABCB11CYP3A4ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024674-A1 POLYMER COMPOUND, COMPOSITION, INSULATING LAYER, AND ORGANIC THIN FILM TRANSISTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-01-28 US disclosed
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