SCHEMBL29087697

SCHEMBL29087697

COc1ccc(-c2cncc(CC(=O)O)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.80
CYP11B2 P19099 6/20 0.80
MAP4K4 O95819 1/20 0.57
PTGS1 P23219 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KDM1A O60341 1/20 0.49
HDAC1 Q13547 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
POLB P06746 1/20 0.48
PDE10A Q9Y233 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL30646825 1.00 CYP11B1 (0.80) CYP11B1CYP11B2MAP4K4PTGS1AKR1C3
SCHEMBL29087719 0.87 CYP11B1 (0.81) CYP11B1CYP11B2MAP4K4MKNK1MKNK2
SCHEMBL30646799 0.87 CYP11B1 (0.81) CYP11B1CYP11B2MAP4K4MKNK1MKNK2
SCHEMBL30646820 0.85 CYP11B1 (0.74) CYP11B1CYP11B2PTGS1AKR1C3AKR1C2
SCHEMBL29087788 0.85 CYP11B1 (0.74) CYP11B1CYP11B2PTGS1AKR1C3AKR1C2
SCHEMBL491853 0.83 PTGS1 (0.58) CYP11B1CYP11B2PTGS1AKR1C3AKR1C2
SCHEMBL16675835 0.81 CYP11B1 (0.78) CYP11B1CYP11B2MAP4K4MKNK1MKNK2
SCHEMBL4217510 0.81 KDM4E (0.68) PTGS1AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL24499977 0.80 CYP11B2 (0.57) CYP11B1CYP11B2PTGS1PTGDR2RXRA
SCHEMBL30530575 0.80 CYP11B2 (0.57) CYP11B1CYP11B2PTGS1PTGDR2RXRA

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-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed