SCHEMBL28820169

SCHEMBL28820169

Cc1c(C(=O)c2ccccc2)ccc(C(C)C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.55
MCL1 Q07820 2/20 0.55
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
AKR1C3 P42330 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 2/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL28527900 0.85 BCL2 (0.51) BCL2MCL1GABRA1GABRB1AKR1C3
SCHEMBL10007412 0.85 ALDH1A1 (0.59) AKR1C3ALDH1A1KMT2ALMNAGAA
SCHEMBL1122739 0.80 BCL2 (0.64) BCL2MCL1GABRA1GABRB1AKR1C3
SCHEMBL2943909 0.80 ACE2 (0.50) GABRA1GABRB1ALDH1A1KMT2ALMNA
SCHEMBL27876135 0.80 AKR1C3 (0.63) AKR1C3ALDH1A1KMT2AGAAKDM4E
SCHEMBL30007458 0.78 ALDH1A1 (0.50) AKR1C3ALDH1A1KMT2ALMNAGAA
SCHEMBL12792099 0.78 AKR1C3 (0.67) AKR1C3ALDH1A1KMT2ALMNAKDM4E
SCHEMBL109891 0.78 ALDH1A1 (0.50) AKR1C3ALDH1A1KMT2ALMNAGAA
SCHEMBL3879139 0.77 GAA (0.55) BCL2MCL1GABRA1GABRB1AKR1C3
SCHEMBL28424851 0.76 BCL2 (0.59) BCL2MCL1GABRA1GABRB1AKR1C3

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-104853753-A Formulations comprising idebenone, n-acetyl-s-farnesyl-l-cysteine and ergothioneine and uses thereof ARDEN ELIZABETH INC 2015-08-19 CN disclosed