SCHEMBL30066045

SCHEMBL30066045

CN1CCN(c2ccc3c(c2)OC(C)(C)C=C3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
PTK2B Q14289 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
HTR3A P46098 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
ODC1 P11926 1/20 0.40
ADRA2C P18825 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GFER P55789 1/20 0.39
ESR2 Q92731 1/20 0.39
HPGD P15428 2/20 0.38

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
SCHEMBL29191747 0.88 ODC1 (0.41) KDM4EMAPTGAAMAPK1HTT
SCHEMBL30065894 0.88 ODC1 (0.41) KDM4EMAPTGAAMAPK1HTT
SCHEMBL30065930 0.72 KDM4E (0.40) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL27212233 0.72 ALDH1A1 (0.44) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL14922296 0.71 HTR3A (0.47) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL14922288 0.70 KDM4E (0.49) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL23123741 0.69 KDM4E (0.44) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL29789858 0.69 KDM4E (0.44) KDM4EMAPTGAAPTK2BMAPK1
SCHEMBL31254058 0.68 PTPN1 (0.52) KDM4EMAPTODC1NPC1RAB9A
SCHEMBL30065835 0.68 HTR2C (0.54) KDM4EMAPTODC1NPC1RAB9A

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-2023277656-A1 NOVEL BENZOPYRAN DERIVATIVE AND USE THEREOF (주)스파크바이오파마 2023-01-05 WO disclosed