SCHEMBL6561042

SCHEMBL6561042

CC1(C)CC(=O)c2cc(CC(N)=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
PGR P06401 3/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP26A1 O43174 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP26B1 Q9NR63 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
SCHEMBL27554946 0.87 PGR (0.38) PGRRXRARXRBRXRGKDM4E
SCHEMBL8597048 0.80 ALDH1A1 (0.43) PGRRXRARXRBRXRGKDM4E
SCHEMBL24862660 0.75 PGR (0.48) PGRRXRARXRBRXRGKDM4E
SCHEMBL568994 0.74 PGR (0.55) CA2PGRKDM4EALDH1A1
SCHEMBL6562466 0.73 PGR (0.44) PGRALDH1A1LMNAPOLBMAPK1
SCHEMBL6937210 0.73 MAPT (0.54) CA2PGRKDM4EALDH1A1LMNA
SCHEMBL30353273 0.73 PGR (0.44) PGRALDH1A1LMNAPOLBMAPK1
SCHEMBL485022 0.72 TDP2 (0.50) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6561051 0.70 CA2 (0.38) CA2PGRKDM4EALDH1A1CYP26A1
SCHEMBL7565951 0.69 PGR (0.44) CA2PGRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed