SCHEMBL9533065

SCHEMBL9533065

COC(=O)Oc1cncn1C1c2ccccc2CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.35
CYP11B2 P19099 2/20 0.35
MAPK1 P28482 2/20 0.33
GCK P35557 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HBB P68871 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL9533729 0.89 IDO1 (0.34) IDO1CYP11B2TSHRCYP3A4
SCHEMBL10699956 0.89 CYP11B2 (0.36) IDO1CYP11B2MAPK1GCKALDH1A1
SCHEMBL27277597 0.89 CYP11B2 (0.36) IDO1CYP11B2MAPK1GCKALDH1A1
SCHEMBL10517869 0.85 IDO1 (0.34) IDO1CYP11B2MAPK1ALDH1A1MAPT
SCHEMBL10515921 0.84 IDO1 (0.34) IDO1CYP11B2CYP3A4
SCHEMBL9493756 0.82 CYP11B2 (0.47) IDO1CYP11B2MAPK1GCKALDH1A1
SCHEMBL9496956 0.82 CYP11B2 (0.47) IDO1CYP11B2MAPK1GCKALDH1A1
SCHEMBL68341 0.82 CYP11B2 (0.47) IDO1CYP11B2MAPK1GCKALDH1A1
SCHEMBL29408788 0.82 CYP11B2 (0.47) IDO1CYP11B2MAPK1GCKALDH1A1
SCHEMBL9531257 0.79 CYP11B2 (0.33) CYP11B2MAPK1GCKALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP disclosed