SCHEMBL10069656

SCHEMBL10069656

CC(C)c1ccc2c(c1)C(c1ccccc1)CC2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
EEF2K O00418 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH2 P05091 1/20 0.40
KIF11 P52732 1/20 0.38
MAOB P27338 3/20 0.38
CYP19A1 P11511 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TNKS O95271 1/20 0.35

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
SCHEMBL10069660 0.92 MAPT (0.46) KDM4EEEF2KALDH1A1MAPTTP53
SCHEMBL23332276 0.86 KDM4E (0.50) KDM4EEEF2KALDH1A1ALDH2MAOB
SCHEMBL10069664 0.85 KDM4E (0.40) KDM4EALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL10069658 0.85 MAP2K3 (0.52) KDM4EALDH1A1MAPTMAOBCYP19A1
SCHEMBL10069667 0.83 KDM4E (0.46) KDM4EEEF2KALDH1A1MAPTTP53
SCHEMBL6146093 0.80 KDM4E (0.59) KDM4EEEF2KALDH1A1ALDH2MAOB
SCHEMBL12121778 0.80 KDM4E (0.59) KDM4EEEF2KALDH1A1ALDH2MAOB
SCHEMBL6146090 0.80 KDM4E (0.59) KDM4EEEF2KALDH1A1ALDH2MAOB
SCHEMBL10069659 0.79 ALDH1A1 (0.44) KDM4EALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL5612911 0.76 KDM4E (0.55) KDM4EEEF2KALDH1A1ALDH2KIF11

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
WO-2012016619-A1 PHENETHYL, PHENETHYLENE, PHENETHYNE AND INDANONE DERIVATES IN COSMETIC FORMULATIONS, ESPECIALLY FOR USE IN SKIN AGEING PROCESSES MERCK PATENT GMBH (DE) 2012-02-09 WO disclosed