SCHEMBL30451972

SCHEMBL30451972

CC(C)C(O)Cc1ccc(Cl)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.42
ALOX15 P16050 4/20 0.41
ALOX12 P18054 3/20 0.41
PPARA Q07869 2/20 0.38
EPHX1 P07099 1/20 0.36
PPARG P37231 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL22122731 1.00 PYCR1 (0.42) PYCR1ALOX15ALOX12PPARAEPHX1
SCHEMBL22145313 0.86 PYCR1 (0.44) PYCR1ALOX15ALOX12PPARAEPHX1
SCHEMBL22122785 0.86 PYCR1 (0.44) PYCR1ALOX15ALOX12PPARAEPHX1
SCHEMBL30485975 0.86 PYCR1 (0.44) PYCR1ALOX15ALOX12PPARAEPHX1
SCHEMBL22122732 0.84 ALOX15 (0.46) PYCR1ALOX15ALOX12PPARAEPHX1
SCHEMBL22122759 0.83 PYCR1 (0.39) PYCR1ALOX15ALOX12PPARAPPARG
SCHEMBL15083013 0.82 EPHX1 (0.48) ALOX15ALOX12EPHX1MEN1KMT2A
SCHEMBL22125042 0.82 PYCR1 (0.46) PYCR1ALOX15ALOX12PPARAPPARG
SCHEMBL22122730 0.79 PYCR1 (0.42) PYCR1ALOX15ALOX12PPARAPPARG
SCHEMBL22162895 0.79 PYCR1 (0.42) PYCR1ALOX15ALOX12PPARAEPHX1

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-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed