SCHEMBL28828396

SCHEMBL28828396

CCCCOc1cccc(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.37
PTPN11 Q06124 2/20 0.37
ERN1 O75460 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
THRB P10828 1/20 0.35
PPARD Q03181 1/20 0.35
DHODH Q02127 1/20 0.35
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TP53 P04637 1/20 0.35
S1PR1 P21453 1/20 0.34
FAAH O00519 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
SCHEMBL28828636 0.95 ERN1 (0.41) ERN1SMARCA2SMARCA4BRD9DHODH
SCHEMBL28828689 0.92 RXRA (0.37) DHODHCHRM3
SCHEMBL28828391 0.91 ABCB1 (0.37) PPARDSMN1; SMN2TP53
SCHEMBL28828506 0.89 CYP1A1 (0.40) DHODH
SCHEMBL28828555 0.88 MCL1 (0.39) NR1H4PTPN11DHODHHTR2ASMN1; SMN2
SCHEMBL29121342 0.88 MCL1 (0.39) NR1H4PTPN11DHODHHTR2ASMN1; SMN2
SCHEMBL28828597 0.88 PRMT5 (0.37) NR1H4PPARDDHODH
SCHEMBL28828566 0.87 GAA (0.39) ERN1PPARDTP53
SCHEMBL28950180 0.86 NR1H4 (0.41) NR1H4PTPN11THRBPPARDDHODH
SCHEMBL28828663 0.85 RXRA (0.36) DHODH

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