SCHEMBL28828664

SCHEMBL28828664

CCOc1cccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
DHODH Q02127 7/20 0.41
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
FFAR1 O14842 2/20 0.36
PPARD Q03181 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ICMT O60725 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL29121368 1.00 PTGS2 (0.45) PTGS2DHODHKDM1AKDM1BRXRA
SCHEMBL29121270 0.93 CTSA (0.38) PTGS2DHODHKDM1AKDM1BFFAR1
SCHEMBL28828564 0.93 CTSA (0.38) PTGS2DHODHKDM1AKDM1BFFAR1
SCHEMBL29121342 0.92 MCL1 (0.39) PTGS2DHODHKDM1AKDM1BCHRM3
SCHEMBL28828555 0.92 MCL1 (0.39) PTGS2DHODHKDM1AKDM1BCHRM3
SCHEMBL29121185 0.91 PTGS2 (0.43) PTGS2DHODHKDM1AKDM1BRXRA
SCHEMBL28828358 0.90 DHODH (0.39) PTGS2DHODHKDM1AKDM1BFFAR1
SCHEMBL29121352 0.90 DHODH (0.39) PTGS2DHODHKDM1AKDM1BFFAR1
SCHEMBL29121273 0.89 KDM1A (0.50) DHODHKDM1AKDM1BFFAR1MAPT
SCHEMBL28828694 0.89 KDM1A (0.50) DHODHKDM1AKDM1BFFAR1MAPT

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