SCHEMBL22964482

SCHEMBL22964482

CCOC(=O)C(C)(C(=O)OCC)c1ccc(Br)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
FBP1 P09467 3/20 0.39
MMP8 P22894 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
CNR2 P34972 3/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
PIN1 Q13526 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL31292359 0.88 CNR2 (0.45) MAPTFBP1MMP8TSHRALDH1A1
SCHEMBL25341772 0.85 ACSS2 (0.43) MAPTFBP1TSHRKDM4ELMNA
SCHEMBL30636540 0.83 TSHR (0.35) MAPTFBP1MMP8TSHRALDH1A1
SCHEMBL20972033 0.83 TSHR (0.35) MAPTFBP1MMP8TSHRALDH1A1
SCHEMBL30853648 0.82 TSHR (0.36) MAPTFBP1TSHRALDH1A1CYP1A2
SCHEMBL23070510 0.82 MMP8 (0.37) FBP1MMP8TSHRCYP1A2ABCB11
SCHEMBL140210 0.82 TSHR (0.36) MAPTFBP1TSHRALDH1A1CYP1A2
SCHEMBL11730443 0.79 ALDH1A1 (0.41) MAPTMMP8ALDH1A1KDM4ELMNA
SCHEMBL2139064 0.79 KDM4E (0.40) MAPTCYP1A2KDM4ELMNAMAPK1
SCHEMBL142930 0.78 THRB (0.44) MAPTFBP1ALDH1A1CYP1A2LMNA

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
CN-114302880-A KIF18A inhibitors 美国安进公司 2022-04-08 CN disclosed
WO-2021026098-A1 KIF18A INHIBITORS AMGEN INC. (US) 2021-02-11 WO disclosed