SCHEMBL26089915

SCHEMBL26089915

CCC=CCCC(CCCCCCCCC)Oc1ccccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLM Q9NP87 1/20 0.35
POLK Q9UBT6 1/20 0.35
POLL Q9UGP5 1/20 0.35
POLH Q9Y253 1/20 0.35
PTGS2 P35354 1/20 0.34
LMNA P02545 3/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
KMT2A Q03164 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL26089572 0.89 ADRA2A (0.40) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL7879918 0.88 ADRA2A (0.45) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL897268 0.84 ALDH1A1 (0.49) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL26091404 0.78 ADRA2A (0.39) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL31020354 0.77 ALDH1A1 (0.47) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL26093312 0.76 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL26093309 0.76 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL30350926 0.76 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL24590618 0.75 ADRA2A (0.41) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL16195622 0.74 ADRA2A (0.42) ADRA2AADRA2BADRA2CALDH1A1HTT

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
WO-2023065203-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2023-04-27 WO disclosed