SCHEMBL28901969

SCHEMBL28901969

COc1ccc(Br)cc1OC(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.51
HPGD P15428 5/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
CCR5 P51681 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28479252 0.94 ALDH1A1 (0.49) PDE4BHPGDPOLBALDH1A1MEN1
SCHEMBL20774839 0.83 MEN1 (0.52) PDE4BHPGDPOLBALDH1A1MEN1
SCHEMBL28481675 0.83 PDE4B (0.55) PDE4BHPGDPOLBALDH1A1MEN1
SCHEMBL28478306 0.83 CA12 (0.53) PDE4BHPGDPOLBALDH1A1KMT2A
SCHEMBL28339385 0.81 HPGD (0.55) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL28487133 0.80 PDE4B (0.60) PDE4BHPGDPOLB
SCHEMBL7364004 0.80 ALDH1A1 (0.46) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL27641736 0.79 KMT2A (0.43) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL28484061 0.79 ALDH1A1 (0.52) PDE4BHPGDPOLBALDH1A1MEN1
SCHEMBL28489873 0.79 ALDH1A1 (0.51) PDE4BHPGDPOLBALDH1A1MEN1

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