SCHEMBL28484707

SCHEMBL28484707

COc1ccc(OC(C)C)cc1OC(=O)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABL1 P00519 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
ACACB O00763 1/20 0.40
ATM Q13315 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
SCHEMBL28478306 0.88 CA12 (0.53) PDE4BHPGDPOLBHTTKMT2A
SCHEMBL28479954 0.87 PDE4B (0.47) PDE4BHPGDPOLBHTTKMT2A
SCHEMBL3786540 0.86 KMT2A (0.53) PDE4BHPGDPOLBHTTKMT2A
SCHEMBL17933774 0.82 KMT2A (0.53) HPGDHTTKMT2ASMN1; SMN2TDP1
SCHEMBL28478128 0.82 HIF1A (0.49) PDE4BHPGDPOLBKMT2ASMN1; SMN2
SCHEMBL28478130 0.81 PDE4B (0.49) PDE4BHPGDPOLBKMT2AL3MBTL1
SCHEMBL28479695 0.81 HIF1A (0.52) PDE4BHPGDPOLBHTTKMT2A
SCHEMBL28481675 0.79 PDE4B (0.55) PDE4BHPGDPOLBKMT2AL3MBTL1
SCHEMBL28487652 0.78 ALDH1A1 (0.44) PDE4BHPGDHTTKMT2ASMN1; SMN2
SCHEMBL28901969 0.78 PDE4B (0.51) PDE4BHPGDPOLBKMT2ATDP1

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