SCHEMBL20099378

SCHEMBL20099378

CCCCC(C)CC(C)NC(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
DNM1 Q05193 2/20 0.32
ADRB2 P07550 4/20 0.32
ACE2 Q9BYF1 1/20 0.31
OPRM1 P35372 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12201612 0.80 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL23902076 0.80 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10952637 0.80 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL25906944 0.79 ALDH1A1 (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2504628 0.77 DNM1 (0.43) ALDH1A1CYP3A4TSHRDNM1ACE2
SCHEMBL19969869 0.76 TDP1 (0.33) TDP1
SCHEMBL24288643 0.75 TDP1 (0.37) TDP1
SCHEMBL10464716 0.73 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL21779710 0.73 OPRM1 (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22783501 0.73 OPRM1 (0.41) ADH1BADH1CADH1AADH4ADH7

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-9960634-B2 Intelligent function installing power storage and generation package system GEM CORPORATION (JP) 2018-05-01 US disclosed