SCHEMBL7908819

SCHEMBL7908819

CCC(CC)C1CCCO1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SHBG P04278 1/20 0.31
POLB P06746 2/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL28010936 0.87
SCHEMBL15695053 0.87 ALDH1A1 (0.33) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL23555200 0.81 SLC6A3 (0.32) ALDH1A1SHBG
SCHEMBL28207169 0.81 SLC6A3 (0.32) ALDH1A1SHBG
SCHEMBL41476 0.81 ALDH1A1 (0.36) ALDH1A1HPGDKMT2AL3MBTL1GAA
SCHEMBL5046890 0.79
SCHEMBL13398917 0.79
SCHEMBL10855340 0.78
SCHEMBL2301166 0.77
SCHEMBL2301161 0.77

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-6201137-B1 CONTACTING CRUDE TETRAHYDROFURAN WITH MINERAL ACID SELECTED FROM THE GROUP CONSISTING OF NITRIC ACID, SULFURIC ACID, AND PHOSPHORIC ACID, THEN INSTANTLY DISTILLATING HODOGAYA CHEMICAL CO., LTD. (JP) 2001-03-13 US disclosed