SCHEMBL28828494

SCHEMBL28828494

CC(C)Oc1cccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 2/20 0.39
PTGS2 P35354 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
FAAH O00519 2/20 0.36
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
FFAR4 Q5NUL3 4/20 0.35
PTPN5 P54829 1/20 0.35

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
SCHEMBL29121218 1.00 KDM1A (0.39) KDM1AKDM1BPTGS2PRMT5WDR77
SCHEMBL29121197 0.90 NR4A2 (0.38) KDM1AKDM1BPTGS2PRMT5WDR77
SCHEMBL28828694 0.90 KDM1A (0.50) KDM1AKDM1BAKR1C3AKR1C2DHODH
SCHEMBL29121192 0.90 FFAR4 (0.42) FFAR4
SCHEMBL28828458 0.90 FFAR4 (0.42) FFAR4
SCHEMBL29121273 0.90 KDM1A (0.50) KDM1AKDM1BAKR1C3AKR1C2DHODH
SCHEMBL29121352 0.89 DHODH (0.39) KDM1AKDM1BPTGS2PRMT5WDR77
SCHEMBL28828358 0.89 DHODH (0.39) KDM1AKDM1BPTGS2PRMT5WDR77
SCHEMBL29121313 0.88 FFAR4 (0.42) FFAR4
SCHEMBL29121190 0.88 RXRA (0.34) KDM1AKDM1BPTGS2RXRARXRB

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