SCHEMBL28489873

SCHEMBL28489873

CCc1ccc(OC)c(OC(=O)C2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ATM Q13315 1/20 0.51
POLB P06746 1/20 0.50
PDE4B Q07343 1/20 0.49
HPGD P15428 1/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 3/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.44
LDHA P00338 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL31321666 0.87 HPGD (0.56) ALDH1A1KMT2AMEN1ATMPOLB
SCHEMBL28491609 0.82 ALOX15 (0.41) ALDH1A1KMT2AMEN1ATMPOLB
SCHEMBL28481675 0.80 PDE4B (0.55) ALDH1A1KMT2AMEN1ATMPOLB
SCHEMBL28478306 0.80 CA12 (0.53) ALDH1A1KMT2APOLBPDE4BHPGD
SCHEMBL28478128 0.80 HIF1A (0.49) ALDH1A1KMT2AMEN1ATMPOLB
SCHEMBL8183705 0.80 PTGS1 (0.59) ALDH1A1KMT2ACA2LMNAHTT
SCHEMBL28901969 0.79 PDE4B (0.51) ALDH1A1KMT2AMEN1POLBPDE4B
SCHEMBL19900515 0.78 PTGS1 (0.69) ALDH1A1KMT2AMEN1POLBHPGD
SCHEMBL31321722 0.78 HPGD (0.60) ALDH1A1KMT2APOLBHPGDLMNA
SCHEMBL28487133 0.78 PDE4B (0.60) POLBPDE4BHPGD

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
CN-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 CN disclosed