SCHEMBL7879918

SCHEMBL7879918

CCCCCCCC(CCCC)Oc1ccccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SRC P12931 1/20 0.37
PPARG P37231 2/20 0.36
PTGS2 P35354 3/20 0.36

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
SCHEMBL897268 0.95 ALDH1A1 (0.49) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL26089915 0.88 ADRA2A (0.42) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL26089572 0.87 ADRA2A (0.40) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL26091404 0.86 ADRA2A (0.39) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL24590618 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL16195622 0.85 ADRA2A (0.42) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL417898 0.82 USP2 (0.44) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL25757370 0.81 CTRC (0.47) ALDH1A1HTTHPGDSMN1; SMN2LMNA
SCHEMBL1082121 0.81 HTT (0.50) ALDH1A1HTTSMN1; SMN2LMNAGAA
SCHEMBL10805994 0.80 USP2 (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288276-B1 CARBONYLATION OF MAGNESIUM SALT OF PHENOL WITH FORMALDEHYDE THEN REACTION WITH AMINE TO FORM OXIME HENKEL KOMMANDITGESELSCHAFT AUF AKTIEN (DE) 2001-09-11 US disclosed
US-6274068-B1 Synthesis of 2-hydroxyarylaldehydes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-08-14 US disclosed
WO-2000040534-A1 SALICYLALDOXIMES AND METHOD OF PREPARATION COGNIS DEUTSCHLAND GMBH (DE) 2000-07-13 WO disclosed
US-5856583-A Synthesis of 2-hydroxyarylaldehydes ALLCO CHEMICAL CORP. (US) 1999-01-05 US disclosed