SCHEMBL28828394

SCHEMBL28828394

COc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP2 O95551 1/20 0.34
ABL1 P00519 1/20 0.34
FFAR1 O14842 1/20 0.34
MCHR1 Q99705 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP4B1 P13584 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP2A7 P20853 1/20 0.33
CYP3A7 P24462 1/20 0.33

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
SCHEMBL28828676 0.90 CYP1A1 (0.45) SMN1; SMN2TDP2ABL1CYP1A2CYP2D6
SCHEMBL29121250 0.90 ACACB (0.39) MAPT
SCHEMBL28828580 0.89 FFAR1 (0.36) FFAR1KDM4ETP53MMP2MMP3
SCHEMBL28828748 0.88 FASN (0.42) DYRK1ASMN1; SMN2TDP2CYP1A2CYP2D6
SCHEMBL29121265 0.88 AKR1C3 (0.38) SMN1; SMN2FFAR1CYP2C19
SCHEMBL29121279 0.88 FASN (0.42) DYRK1ASMN1; SMN2TDP2CYP1A2CYP2D6
SCHEMBL28828754 0.88 AKR1C3 (0.38) SMN1; SMN2FFAR1CYP2C19
SCHEMBL28828524 0.87 TDP2 (0.46) TDP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28828363 0.87 CHRNB2 (0.39) SMN1; SMN2ABL1MEN1NPC1RAB9A
SCHEMBL28828553 0.86 ABL1 (0.39) ABL1FFAR1CYP2D6BACE1KMT2A

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