SCHEMBL31422587

SCHEMBL31422587

CC(=O)C=Cc1ccccc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
LMNA P02545 3/20 0.66
KDM4E B2RXH2 3/20 0.59
IAPP P10997 1/20 0.56
GLA P06280 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GMNN O75496 1/20 0.44
PMP22 Q01453 1/20 0.44
NFE2L2 Q16236 2/20 0.44
NFKB1 P19838 2/20 0.44
JUN P05412 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 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
SCHEMBL7899013 1.00 MAPT (0.66) MAPTLMNAKDM4EIAPPGLA
SCHEMBL14279409 1.00 MAPT (0.66) MAPTLMNAKDM4EIAPPGLA
SCHEMBL2834883 1.00 MAPT (0.66) MAPTLMNAKDM4EIAPPGLA
SCHEMBL14441077 0.87 MAPT (0.76) MAPTLMNAKDM4EIAPPGLA
SCHEMBL15853343 0.86 LMNA (0.50) MAPTLMNAKDM4EIAPPGLA
SCHEMBL5598952 0.85 NFE2L2 (0.61) MAPTLMNAKDM4ETDP1ALDH1A1
SCHEMBL5598954 0.85 NFE2L2 (0.61) MAPTLMNAKDM4ETDP1ALDH1A1
SCHEMBL78556 0.83 CA1 (0.62) MAPTLMNAKDM4EALDH1A1TSHR
SCHEMBL78555 0.83 CA1 (0.62) MAPTLMNAKDM4EALDH1A1TSHR
SCHEMBL2425317 0.83 CA1 (0.62) MAPTLMNAKDM4EALDH1A1TSHR

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-119528983-A Method for green catalytic synthesis of gamma-ketophosphine oxide by asymmetric alkylaluminum compound 北京理工大学 2025-02-28 CN disclosed