SCHEMBL29093106

SCHEMBL29093106

O=C(O)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.56
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
GRIK1 P39086 1/20 0.46
POLB P06746 1/20 0.44
RHEB Q15382 1/20 0.44
CDH1 P12830 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SERPINE1 P05121 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
TLR8 Q9NR97 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL22439725 0.90 AR (0.52) ARXDHSLC22A12GRIK1RHEB
SCHEMBL28661823 0.89 AR (0.55) ARRHEBTLR8FLT1FLT4
SCHEMBL29741809 0.88 AR (0.54) ARTLR8FLT1FLT4KDR
SCHEMBL14645660 0.88 AR (0.54) ARTLR8FLT1FLT4KDR
SCHEMBL22439720 0.87 AR (0.50) ARXDHSLC22A12GRIK1RHEB
SCHEMBL8924039 0.87 POLB (0.46) ARXDHSLC22A12POLBAKR1C2
SCHEMBL695791 0.87 POLB (0.54) POLBAKR1C3DHODHMEN1KMT2A
SCHEMBL28665319 0.85 AR (0.51) ARSMN1; SMN2TLR8FLT1FLT4
SCHEMBL28036772 0.84 AR (0.56) ARRHEBTLR8FLT1FLT4
SCHEMBL14645459 0.84 AR (0.50) ARTLR8FLT1FLT4KDR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677472-B Synthesis method of drug intermediate and application of drug intermediate in synthesis of penconazole 辽宁大学 2024-08-06 CN claimed
CN-115677472-A Synthetic method of drug intermediate and application of drug intermediate in synthesis of chlorofluoromethrin 辽宁大学 2023-02-03 CN claimed
CN-115677472-B Synthesis method of drug intermediate and application of drug intermediate in synthesis of penconazole 辽宁大学 2024-08-06 CN disclosed
CN-115677472-B Synthesis method of drug intermediate and application of drug intermediate in synthesis of penconazole 辽宁大学 2024-08-06 CN disclosed
CN-116947749-B Amide compounds and application thereof 帕潘纳(北京)科技有限公司 2023-12-01 CN disclosed
CN-116947749-A Novel-structure amide compound and application thereof 帕潘纳(北京)科技有限公司 2023-10-27 CN disclosed
CN-115677472-A Synthetic method of drug intermediate and application of drug intermediate in synthesis of chlorofluoromethrin 辽宁大学 2023-02-03 CN disclosed
CN-115677472-A Synthetic method of drug intermediate and application of drug intermediate in synthesis of chlorofluoromethrin 辽宁大学 2023-02-03 CN disclosed