SCHEMBL11629337

SCHEMBL11629337

CCOc1c(C=O)cc2c(c1OC)CCC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
NLRP3 Q96P20 6/20 0.34
PDE4D Q08499 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ERN1 O75460 3/20 0.33
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL11625348 0.93 MEN1 (0.52) MEN1KMT2ALMNAPOLBGAA
SCHEMBL11626605 0.88 MEN1 (0.64) MEN1KMT2ALMNAPOLBGAA
SCHEMBL11626183 0.81 MEN1 (0.50) MEN1KMT2ALMNAPOLBTSHR
SCHEMBL11625349 0.81 PRMT1 (0.40) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL11866795 0.80 MEN1 (0.49) MEN1KMT2ALMNAPOLBGAA
SCHEMBL11629474 0.75 LMNA (0.46) MEN1KMT2ALMNAPOLBTSHR
SCHEMBL11629129 0.74 POLB (0.33) MEN1KMT2APOLBGAATSHR
SCHEMBL11629132 0.73 HTR2A (0.43) MEN1KMT2APOLBGAATSHR
SCHEMBL11627431 0.73 ALDH1A1 (0.42) MEN1KMT2ALMNAPOLBGAA
SCHEMBL10328387 0.72 NLRP3 (0.40) POLBGAATSHRALDH1A1HPGD

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-3962254-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-06-08 US disclosed