SCHEMBL28846397

SCHEMBL28846397

CCC(=O)Oc1ccc(Br)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.49
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ESR1 P03372 2/20 0.49
HIF1A Q16665 2/20 0.49
RECQL P46063 1/20 0.49
ELANE P08246 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.41
SLC6A4 P31645 1/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL27714304 0.87 ACHE (0.49) ACHEKMT2ASMN1; SMN2ESR1HIF1A
SCHEMBL16922693 0.86 SLC6A4 (0.43) ACHEKMT2ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1787665 0.84 KMT2A (0.53) ACHEKMT2ASMN1; SMN2ESR1HIF1A
SCHEMBL25385502 0.83 ACHE (0.59) ACHEKMT2ASMN1; SMN2ESR1HIF1A
SCHEMBL15605755 0.82 KMT2A (0.46) KMT2ASMN1; SMN2ALDH1A1HSD17B10SLC6A4
SCHEMBL1824842 0.81 LMNA (0.47) ACHEKMT2ASMN1; SMN2ELANEKDM4E
SCHEMBL28601319 0.80 KMT2A (0.41) ACHEKMT2ASMN1; SMN2ESR1HIF1A
SCHEMBL3218515 0.79 ACHE (0.48) ACHEKMT2ASMN1; SMN2ESR1HIF1A
SCHEMBL6446983 0.79 RARB (0.49) ACHEKMT2ASMN1; SMN2ESR1HIF1A
SCHEMBL3932133 0.78 KMT2A (0.50) ACHEKMT2ASMN1; SMN2ESR1HIF1A

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-114945560-A GPR119 agonists 卡尔优普公司 2022-08-26 CN disclosed