SCHEMBL19781422

SCHEMBL19781422

C=CC(=O)OC(COC(C)=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CYP3A4 P08684 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
GLS O94925 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.35
MDM4 O15151 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL732624 0.89 THRB (0.47) THRBALDH1A1CYP3A4HCAR2TSHR
SCHEMBL28470451 0.88 PABPC1 (0.46) THRBALDH1A1PABPC1APOBEC3AAPOBEC3G
SCHEMBL4285363 0.84 PABPC1 (0.52) ALDH1A1PABPC1APOBEC3AAPOBEC3GCYP3A4
SCHEMBL12567717 0.83 ALDH1A1 (0.43) ALDH1A1PABPC1APOBEC3AAPOBEC3GCYP3A4
SCHEMBL17844649 0.83 THRB (0.41) THRBALDH1A1PABPC1APOBEC3AAPOBEC3G
Acetic Acid SCHEMBL28013205 0.82 THRB (0.40) THRBALDH1A1PABPC1APOBEC3AAPOBEC3G
SCHEMBL1371364 0.81 THRB (0.41) THRBALDH1A1PABPC1APOBEC3AAPOBEC3G
SCHEMBL24313989 0.81 THRB (0.39) THRBALDH1A1PABPC1APOBEC3AAPOBEC3G
SCHEMBL1034695 0.81 THRB (0.53) THRBSMN1; SMN2CYP2C19KMT2ALMNA
SCHEMBL19817555 0.81 CYP1A2 (0.53) THRBALDH1A1CYP3A4HCAR2TSHR

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-10571802-B2 Photocurable composition for imprint, method of producing cured film, method of producing optical component, method of producing circuit board, and method of producing electronic component CANON KABUSHIKI KAISHA (JP) 2020-02-25 US disclosed
US-20180017861-A1 PHOTOCURABLE COMPOSITION FOR IMPRINT, METHOD OF PRODUCING CURED FILM, METHOD OF PRODUCING OPTICAL COMPONENT, METHOD OF PRODUCING CIRCUIT BOARD, AND METHOD OF PRODUCING ELECTRONIC COMPONENT CANON KABUSHIKI KAISHA (JP) 2018-01-18 US disclosed