SCHEMBL22173530

SCHEMBL22173530

CC(=O)CCC(=O)OC(=O)c1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KMT2A Q03164 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
PARP10 Q53GL7 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
MAPT P10636 5/20 0.38
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CYP2A6 P11509 2/20 0.35
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL28665174 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AADRB2ADRB1ADRB3
SCHEMBL43876 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AADRB2ADRB1ADRB3
SCHEMBL18530060 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AADRB2ADRB1ADRB3
SCHEMBL16553458 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AADRB2ADRB1ADRB3
SCHEMBL1419304 0.80 TSHR (0.48) ALDH1A1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL28169073 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AADRB2ADRB1ADRB3
SCHEMBL11068409 0.78 ALDH1A1 (0.69) ALDH1A1KMT2AADRB2ADRB1ADRB3
SCHEMBL475274 0.78 ALDH1A1 (0.69) ALDH1A1KMT2AADRB2ADRB1ADRB3
SCHEMBL8533739 0.78 ALDH1A1 (0.50) ALDH1A1KMT2APARP10PARP3MAPT
SCHEMBL1681792 0.73 SMN1; SMN2 (0.46) ALDH1A1KMT2APARP10PARP3MAPT

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-2020137623-A1 METHOD FOR MEASURING ACID ANHYDRIDE CONTENT 日本電信電話株式会社 2020-07-02 WO disclosed