SCHEMBL27485035

SCHEMBL27485035

CC(C)(C)c1ccc(Cc2c(O)cccc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TYR P14679 1/20 0.45
ESRRG P62508 4/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
P4HB P07237 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NLRP3 Q96P20 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR1D P28221 1/20 0.40

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
SCHEMBL31544982 0.81 ESR1 (0.41)
SCHEMBL2574068 0.79 KEAP1 (0.63) LMNATYRESRRGALDH1A1TDP1
SCHEMBL4814389 0.78 TRPA1 (0.45) ALDH1A1KMT2AKDM4EHPGDALOX15
SCHEMBL5366191 0.77 KEAP1 (0.59) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL348623 0.76 TSHR (0.52) LMNATYRALDH1A1TDP1ADRA2A
SCHEMBL12733320 0.75 LMNA (0.73) LMNATYRESRRGALDH1A1KMT2A
SCHEMBL28020633 0.75 NR4A2 (0.47) LMNAESRRGNLRP3TDP1EPHX2
SCHEMBL875676 0.74 BCL2 (0.54) LMNAALDH1A1KMT2AKDM4ETDP1
SCHEMBL11011851 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4ETDP1HPGD
SCHEMBL574142 0.74 LMNA (0.51) LMNAALDH1A1KMT2AHPGDALOX15

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-1184117-A Novel alpha-aminoacetophenone photoinitiators CIBA SC HOLDING AG (CH) 1998-06-10 CN disclosed