SCHEMBL3458436

SCHEMBL3458436

CC(C)c1cccc(C2=CCN[CH]C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
PTPN5 P54829 2/20 0.35
HDAC4 P56524 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MDM4 O15151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2175817 0.75 HTR2C (0.60) HTR2CCTSSCTSKCTSLCTSB
SCHEMBL3458437 0.74 RXRA (0.38) RXRARXRBRXRGATML3MBTL1
SCHEMBL2422050 0.74 SIGMAR1 (0.50) ALDH1A1HTR2C
SCHEMBL16154956 0.73 HTR2C (0.50) RXRARXRBRXRGATML3MBTL1
SCHEMBL15842336 0.72 PTPN5 (0.40) RXRARXRBRXRGATML3MBTL1
SCHEMBL5352034 0.71 RXRA (0.62) RXRARXRBRXRGATML3MBTL1
SCHEMBL8375996 0.70 RXRA (0.42) RXRARXRBRXRGATML3MBTL1
SCHEMBL598181 0.69 RXRA (0.66) RXRARXRBRXRGATML3MBTL1
SCHEMBL16154953 0.69 HTR2A (0.52) RXRARXRBRXRGATML3MBTL1
SCHEMBL19862433 0.68 RXRA (0.41) RXRARXRBRXRGATML3MBTL1

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
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed