SCHEMBL28629138

SCHEMBL28629138

C=C(C)C(=O)OC(Cc1ccc(OC(F)(F)F)cc1)C(O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.44
PTPN1 P18031 1/20 0.39
EPHX2 P34913 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ADCY6 O43306 1/20 0.36
ADCY3 O60266 1/20 0.36
ADCY9 O60503 1/20 0.36
ADCY5 O95622 1/20 0.36
ADCY8 P40145 1/20 0.36
GCGR P47871 1/20 0.36
ADCY7 P51828 1/20 0.36
ADCY2 Q08462 1/20 0.36
ADCY1 Q08828 1/20 0.36
ADCY4 Q8NFM4 1/20 0.36
FPR2 P25090 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
SCHEMBL28635202 0.85 LDHA (0.47) ACACBPPARGPPARAALDH1A1
SCHEMBL28624382 0.84 ACACB (0.43) ACACB
SCHEMBL28616473 0.82 TEAD1 (0.40) ACACBPTPN1EPHX2PPARGPPARA
SCHEMBL28617970 0.81 ACACB (0.45) ACACBHDAC10HDAC6
SCHEMBL28621093 0.79 THRB (0.44) PPARAALDH1A1
SCHEMBL28627699 0.73 ACACB (0.43) ACACBPTPN1EPHX2PPARGPPARA
SCHEMBL19944449 0.72 AR (0.43) ACACBEPHX2EPHX1ALDH1A1HRH3
SCHEMBL28922018 0.71 HTR2A (0.44) PPARGPPARAEPHX1
SCHEMBL5753436 0.69 PTPN1 (0.44) ACACBPTPN1EPHX2PPARGPPARA
SCHEMBL18247995 0.69 PTPN1 (0.55) ACACBPTPN1EPHX2PPARGPPARA

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
CN-109641831-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2021-09-10 CN disclosed