SCHEMBL5478797

SCHEMBL5478797

CC(=O)c1cc(C(C)(C)C)cc2c1CCC2(C)C.O=C1CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.49
RXRG P48443 6/20 0.41
RXRB P28702 6/20 0.38
MAPK14 Q16539 3/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PBRM1 Q86U86 1/20 0.33
PTAFR P25105 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PLA2G1B P04054 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
SCHEMBL29374183 0.84 RXRA (0.63) RXRARXRGRXRBALDH1A1NPC1
SCHEMBL112943 0.84 RXRA (0.63) RXRARXRGRXRBALDH1A1NPC1
SCHEMBL3633427 0.75 RXRA (0.65) RXRARXRGRXRB
SCHEMBL3309227 0.73 RXRA (0.49) RXRA
SCHEMBL7081382 0.73 RXRA (0.59) RXRARXRGRXRBALDH1A1NPC1
SCHEMBL7081379 0.73 RXRA (0.59) RXRARXRGRXRBALDH1A1NPC1
SCHEMBL3306526 0.72 RXRA (0.45) RXRARXRGRXRB
SCHEMBL13807401 0.71 RXRA (0.57) RXRARXRGRXRB
SCHEMBL7088008 0.70 RXRA (0.61) RXRARXRGRXRB
SCHEMBL9182814 0.70 RXRA (0.45) RXRARXRGRXRBALDH1A1NPC1

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
US-20070256252-A1 Fabric Treatment for Stain Release CASELLA VICTOR M 2007-11-08 US disclosed