SCHEMBL11550487

SCHEMBL11550487

CCOc1cc(O)cc2oc(C)c(-c3ccccc3)c(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
HSP90AA1 P07900 1/20 0.49
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
STAT6 P42226 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EGFR P00533 2/20 0.47
RET P07949 1/20 0.47
KDR P35968 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47

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
SCHEMBL11554181 0.81 MEN1 (0.72) ALDH1A1KDM4EMEN1KMT2AADORA3
SCHEMBL9755685 0.80 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2AADORA3
SCHEMBL28514417 0.74 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2ACASP1
SCHEMBL11244826 0.74 MEN1 (0.52) ALDH1A1KDM4EMEN1KMT2AADORA3
SCHEMBL10619789 0.72 GLO1 (0.78) ALDH1A1KDM4EMEN1KMT2AADORA3
SCHEMBL14498307 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ACASP1
SCHEMBL5266910 0.71 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2ACASP1
SCHEMBL5040391 0.71 MEN1 (0.70) ALDH1A1KDM4EMEN1KMT2AADORA3
SCHEMBL11550658 0.71 ADORA3 (0.68) ALDH1A1KDM4EMEN1KMT2AADORA3
SCHEMBL27696055 0.71 ADORA3 (0.50) ALDH1A1KDM4EMEN1KMT2AADORA3

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
US-4166862-A WEIGHT-GAIN PROMOTERS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-09-04 US claimed