SCHEMBL11628367

SCHEMBL11628367

CCOc1cc(C=O)c2c(c1OCC)CCC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.44
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 4/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL11629474 0.91 LMNA (0.46) LMNAPOLBALDH1A1KDM4ETSHR
SCHEMBL11621805 0.85 ALDH1A1 (0.43) LMNAPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL11812242 0.84 ALDH1A1 (0.39) LMNAPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL11626390 0.79 MAPT (0.48) LMNAGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11624509 0.76 MEN1 (0.49) LMNASMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL11625348 0.75 MEN1 (0.52) LMNAPOLBGAAALDH1A1KDM4E
SCHEMBL13664124 0.75 LMNA (0.56) LMNAPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL10969853 0.73 LMNA (0.68) LMNAPOLBGAASMN1; SMN2ALDH1A1
SCHEMBL19249613 0.73 LMNA (0.42) LMNAPOLBGAAALDH1A1KDM4E
SCHEMBL13664107 0.72 LMNA (0.62) LMNAPOLBSMN1; SMN2ALDH1A1KDM4E

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