SCHEMBL29138977

SCHEMBL29138977

COC(=O)c1ccc2c(C(=O)OC)c(-c3ccccc3)c(-c3ccccc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
PLA2G2A P14555 1/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 2/20 0.45
LCK P06239 1/20 0.45
KIF11 P52732 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
PLEC Q15149 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PRKCZ Q05513 1/20 0.43
NEK1 Q96PY6 1/20 0.43

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
SCHEMBL9301038 0.76 MEN1 (0.50) MEN1KMT2AEGFRGPR84PTGS2
SCHEMBL9303741 0.75 MEN1 (0.52) MEN1KMT2ASMN1; SMN2EGFRGPR84
SCHEMBL8755183 0.75 TSHR (0.47) SMN1; SMN2EGFRLMNALCKKIF11
SCHEMBL10458005 0.74 PTGS2 (0.76) MEN1KMT2AEGFRPTGS2KIF11
SCHEMBL5189717 0.73 P2RY14 (0.44) MEN1KMT2ASMN1; SMN2GPR84LMNA
SCHEMBL11928862 0.73 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2PLA2G2ALMNA
SCHEMBL2926113 0.73 EGFR (0.51) MEN1KMT2AEGFRPTGS2LMNA
SCHEMBL27374644 0.73 LCK (0.50) MEN1KMT2ASMN1; SMN2LMNALCK
SCHEMBL16502556 0.72 EGFR (0.54) MEN1KMT2ASMN1; SMN2EGFRGPR84
SCHEMBL9644770 0.72 LCK (0.49) MEN1KMT2ASMN1; SMN2LMNALCK

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-117402332-A Modified heat-resistant PET copolyester with high impact strength and high transparency and preparation method thereof 中国科学院化学研究所 2024-01-16 CN claimed