Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benzo[D]Oxazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.37 |
| ▸ | WNT3A | P56704 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Benzo[D]Oxazole SCHEMBL27565510 | 1.00 | CHRNB2 (0.38) | CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2 | |
| Benzo[D]Oxazole SCHEMBL29083023 | 0.98 | CHRNB2 (0.37) | CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2 | |
| Benzo[D]Oxazole SCHEMBL28559433 | 0.88 | NCF1 (0.40) | CHRNB2CHRNA4DYRK1AALDH1A1ADRB2 | |
| Benzo[D]Oxazole SCHEMBL27844655 | 0.87 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2CTNNB1WNT3A | |
| Benzo[D]Oxazole SCHEMBL2724328 | 0.87 | — | — | |
| Benzo[D]Oxazole SCHEMBL2385440 | 0.87 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2CTNNB1WNT3A | |
| Benzo[D]Oxazole SCHEMBL7903 | 0.87 | — | — | |
| Benzo[D]Oxazole SCHEMBL1128182 | 0.85 | NPC1 (0.40) | CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2 | |
| Benzo[D]Oxazole SCHEMBL11738771 | 0.85 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2CTNNB1WNT3A | |
| Benzo[D]Oxazole SCHEMBL5383185 | 0.85 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2CTNNB1WNT3A |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112812781-B | Liquid crystal compound based on bipiperazine benzoxazole and preparation method thereof | 西安瑞联新材料股份有限公司 | 2023-09-29 | — | — | CN | claimed |
| CN-112812781-A | Bipiperazine benzoxazole-based liquid crystal compound and preparation method thereof | 西安瑞联新材料股份有限公司 | 2021-05-18 | — | — | CN | claimed |
| CN-112812781-A | Bipiperazine benzoxazole-based liquid crystal compound and preparation method thereof | 西安瑞联新材料股份有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-112812781-A | Bipiperazine benzoxazole-based liquid crystal compound and preparation method thereof | 西安瑞联新材料股份有限公司 | 2021-05-18 | — | — | CN | disclosed |