SCHEMBL28405015

SCHEMBL28405015

CNc1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.50
EPAS1 Q99814 10/20 0.50
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CA7 P43166 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
COXFA4 O00483 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
SCHEMBL28417969 0.86 ODC1 (0.45) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9685221 0.80 CA12 (0.56) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL2012004 0.79 HIF1A (0.46) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL3049240 0.77 ALDH1A1 (0.46) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL7738844 0.77 HIF1A (0.58) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL14178660 0.76 HIF1A (0.63) HIF1AEPAS1
SCHEMBL14930293 0.76 HIF1A (0.61) HIF1AEPAS1
SCHEMBL12155510 0.75 ALDH1A1 (0.45) HIF1AEPAS1ALDH1A1KDM4EMAPT
SCHEMBL8723354 0.75 XDH (0.68) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL6024450 0.75 HTR2C (0.54) HIF1AEPAS1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 CN disclosed
CN-111132976-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2020-05-08 CN disclosed