SCHEMBL28828683

SCHEMBL28828683

COc1cc2c(cc1-c1ccc(C(C)(C)C)cc1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
EGFR P00533 1/20 0.33
TP53 P04637 1/20 0.33
STS P08842 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL28828460 0.89 AKR1C3 (0.37) DHODHALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL28828645 0.86 AKR1C3 (0.38) AKR1C3AKR1C2KIF11
SCHEMBL28828385 0.85 PDE4B (0.36) LMNAMEN1KMT2ASTS
SCHEMBL28828675 0.85 TP53 (0.36) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL28828393 0.85 AKR1C3 (0.37) ALDH1A1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL28828389 0.84 ALDH1A1 (0.37) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL28950186 0.84 FFAR4 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28828637 0.83 STS (0.32) MEN1KMT2ATP53STS
SCHEMBL29121186 0.82 DHODH (0.39) DHODHALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL28828366 0.82 DHODH (0.39) DHODHALDH1A1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN claimed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN claimed
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN disclosed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN disclosed