SCHEMBL21841982

SCHEMBL21841982

CC(C)(OCc1ccccc1Cn1ccnc1)OCc1ccccc1Cn1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.59
CYP11B2 P19099 6/20 0.59
CYP19A1 P11511 7/20 0.52
POLB P06746 3/20 0.52
TBXAS1 P24557 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
QPCT Q16769 1/20 0.49
CYP4Z1 Q86W10 1/20 0.49
QPCTL Q9NXS2 1/20 0.49
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL30523908 0.82 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1POLBTBXAS1
SCHEMBL30523909 0.82 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1POLBTBXAS1
SCHEMBL15179016 0.82 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1POLBTBXAS1
SCHEMBL21841987 0.79 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1POLBTBXAS1
SCHEMBL17450431 0.78 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1POLBTBXAS1
SCHEMBL20602252 0.77 TBXAS1 (0.58) CYP11B1CYP11B2CYP19A1POLBTBXAS1
Iodide SCHEMBL1996528 0.77 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1POLBTBXAS1
Iodide SCHEMBL28192688 0.76 CYP11B1 (0.97) CYP11B1CYP11B2CYP19A1POLBTBXAS1
SCHEMBL21841988 0.76 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1POLBTBXAS1
SCHEMBL8050377 0.74 CYP11B1 (0.65) CYP11B1CYP11B2CYP19A1POLBTBXAS1

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
WO-2020060494-A1 ACID-SENSITIVE DEGRADABLE IMIDAZOLIUM POLYMERS FOR ANTIMICROBIAL APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-03-26 WO disclosed