SCHEMBL11629474

SCHEMBL11629474

CCOc1cc(C=O)c2c(c1OC)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4D Q08499 2/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ERN1 O75460 2/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKDC P78527 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
SCHEMBL11628367 0.91 LMNA (0.49) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL11624509 0.86 MEN1 (0.49) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL11623589 0.80 ALDH1A1 (0.46) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL11621805 0.79 ALDH1A1 (0.43) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL11812242 0.78 ALDH1A1 (0.39) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL834457 0.78 MEN1 (0.50) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10773535 0.76 LMNA (0.53) LMNAPOLBALDH1A1KDM4ETSHR
SCHEMBL11629337 0.75 MEN1 (0.56) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL835754 0.75 MEN1 (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL836902 0.75 MEN1 (0.48) LMNAMEN1KMT2AALDH1A1KDM4E

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
US-4071562-A 4,5-Dialkoxy-6 or 7-indanaldehydes MARION LABORATORIES, INC. (US) 1978-01-31 US disclosed
US-3963723-A HYPOTENSIVE MARION LABORATORIES, INC. (US) 1976-06-15 US disclosed
US-3954774-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-05-04 US disclosed