SCHEMBL28928409

SCHEMBL28928409

O=C(O)c1cc(NCCc2ccc(Cl)cc2)ccc1O.O=C(O)c1cc(NCCc2ccc(F)c(F)c2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.52
STING1 Q86WV6 1/20 0.52
SYK P43405 4/20 0.52
KDM4C Q9H3R0 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LCK P06239 2/20 0.45
MAPT P10636 3/20 0.44
NOX4 Q9NPH5 2/20 0.44
LMNA P02545 1/20 0.44
RGS12 O14924 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EGFR P00533 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR1 P21554 2/20 0.43
MCL1 Q07820 2/20 0.43
BCL2L1 Q07817 1/20 0.43
BCL2A1 Q16548 1/20 0.43
ALOX15 P16050 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
SCHEMBL610930 0.94 PPARA (0.57) PPARASTING1SYKKDM4CLCK
SCHEMBL29391594 0.94 PPARA (0.57) PPARASTING1SYKKDM4CLCK
SCHEMBL610123 0.93 SYK (0.58) PPARASTING1SYKKDM4CCA1
SCHEMBL29388077 0.93 SYK (0.58) PPARASTING1SYKKDM4CCA1
SCHEMBL28928407 0.90 SYK (0.46) PPARASTING1SYKKDM4CMAPT
SCHEMBL29391568 0.83 KDM4C (0.53) PPARASTING1SYKKDM4CLCK
SCHEMBL610065 0.83 KDM4C (0.53) PPARASTING1SYKKDM4CLCK
SCHEMBL4097800 0.81 PPARA (0.52) PPARASTING1SYKKDM4CLCK
SCHEMBL4095655 0.81 PPARA (0.52) PPARASTING1SYKKDM4CLCK
SCHEMBL608754 0.81 NOX4 (0.61) PPARASTING1SYKKDM4CLCK

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-113710242-A Compositions and methods for treating neurodegenerative disorders 吉恩特药业株式会社 2021-11-26 CN claimed