SCHEMBL1289930

SCHEMBL1289930

CCCC(=O)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
KMT2A Q03164 6/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
PPARA Q07869 3/20 0.41
CYP3A4 P08684 2/20 0.41
ABCB11 O95342 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
HPGD P15428 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL27546455 0.85 KMT2A (0.45) ELANEKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL9403286 0.84 LMNA (0.52) ELANEBCL9CTNNB1KMT2ACYP1A2
SCHEMBL27793336 0.83 KMT2A (0.41) ELANEBCL9CTNNB1KMT2ACYP1A2
SCHEMBL5468900 0.81 BCL9 (0.60) ELANEBCL9CTNNB1KMT2ACYP1A2
SCHEMBL1088831 0.81 CES2 (0.53) ELANEBCL9CTNNB1KMT2AHPGD
SCHEMBL161868 0.78 BCL9 (0.74) BCL9CTNNB1KMT2ACYP3A4TSHR
SCHEMBL7063178 0.78 ELANE (0.50) ELANEKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL28340540 0.76 ATF4 (0.49) KMT2ACYP1A2CYP2C19CYP3A4TSHR
SCHEMBL10356377 0.76 ALDH1A1 (0.48) KMT2ACYP1A2CYP2C19CYP2C9PPARA
SCHEMBL6344321 0.75 KMT2A (0.55) BCL9CTNNB1KMT2ACYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228668-B Antidiabetic enolic glycoside of phenylpyruvic acid ZADEC APS (DK) 2016-04-27 CN disclosed
CN-103228668-A Antidiabetic enolic glycoside of phenylpyruvic acid ZADEC APS 2013-07-31 CN disclosed