SCHEMBL28828564

SCHEMBL28828564

CCCOc1cccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.38
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 2/20 0.37
PTGS2 P35354 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
BACE1 P56817 1/20 0.37
KMT2A Q03164 1/20 0.36
FFAR1 O14842 2/20 0.35
PPARD Q03181 1/20 0.35
DHODH Q02127 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL29121270 1.00 CTSA (0.38) CTSAKDM1AKDM1BPTGS2SMARCA2
SCHEMBL28828555 0.95 MCL1 (0.39) CTSAKDM1AKDM1BPTGS2DHODH
SCHEMBL29121342 0.95 MCL1 (0.39) CTSAKDM1AKDM1BPTGS2DHODH
SCHEMBL28828664 0.93 PTGS2 (0.45) KDM1AKDM1BPTGS2FFAR1PPARD
SCHEMBL29121368 0.93 PTGS2 (0.45) KDM1AKDM1BPTGS2FFAR1PPARD
SCHEMBL29121344 0.91 CTSA (0.37) CTSAKDM1AKDM1BPTGS2SMARCA2
SCHEMBL29121169 0.90 FFAR4 (0.39) CTSABACE1FFAR1LMNAMCL1
SCHEMBL28828399 0.90 FFAR4 (0.39) CTSABACE1FFAR1LMNAMCL1
SCHEMBL29121352 0.88 DHODH (0.39) KDM1AKDM1BPTGS2KMT2AFFAR1
SCHEMBL28828694 0.88 KDM1A (0.50) KDM1AKDM1BFFAR1DHODHALDH1A1

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