SCHEMBL9058750

SCHEMBL9058750

CON(C(C)=O)c1ccc2c(c1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
POLB P06746 3/20 0.41
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
MT-CO2 P00403 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2463178 0.77 RXRA (0.47) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL2091407 0.74 RXRA (0.48) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL7096129 0.74 RXRA (0.43) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL7314295 0.74 HDAC6 (0.46) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL9495095 0.73 MEN1 (0.41) TSHR
SCHEMBL2465113 0.73 RXRA (0.44) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL9059041 0.73 RXRA (0.44) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL7403475 0.72 RXRA (0.43) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL11667482 0.71 RXRA (0.58) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL27666257 0.71 RXRA (0.48) RXRARXRBRXRGALDH1A1NPC1

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-1996021640-A1 OPTICALLY ACTIVE AMINOINDANE DERIVATIVES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-07-18 WO disclosed