SCHEMBL24337442

SCHEMBL24337442

CCCCN[C@@H](C)CCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.42
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
TSHR P16473 2/20 0.38
DNM1 Q05193 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL28726709 1.00 ADRB2 (0.42) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL19185677 0.92 ADH1B (0.48) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL17808429 0.92 ADH1B (0.48) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL26363864 0.92 ALDH1A1 (0.43) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL7775148 0.92 TSHR (0.39) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL31008640 0.92 ADRB2 (0.43) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL9207712 0.90 ADH1B (0.52) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL15563265 0.90 ADH1B (0.52) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL9213135 0.90 ADH1B (0.52) ADRB2ADH1BADH1CADH1AADH4
SCHEMBL15535024 0.90 ADH1B (0.52) ADRB2ADH1BADH1CADH1AADH4

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-20220119471-A1 GLYCOPROTEIN WITH REDUCED ACETYLATION RATE OF SIALIC ACID RESIDUES HEXAL AG (DE) 2022-04-21 US disclosed