Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CCR1 | P32246 | 3/20 | 0.41 |
| ▸ | CCR5 | P51681 | 3/20 | 0.41 |
| ▸ | CCR8 | P51685 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1644904 | 0.91 | LMNA (0.48) | LMNAKDM4EMAPTCCR1CCR5 | |
| SCHEMBL30619089 | 0.78 | LMNA (0.44) | LMNAKDM4EMAPTCCR1CCR5 | |
| Phenanthroline SCHEMBL20165750 | 0.75 | CCR1 (0.73) | LMNAKDM4EMAPTCCR1CCR5 | |
| SCHEMBL26901615 | 0.74 | CCR1 (0.37) | LMNAKDM4EMAPTCCR1CCR5 | |
| SCHEMBL16976515 | 0.74 | BRD4 (0.37) | LMNAKDM4EMAPTCCR1CCR5 | |
| Phenanthroline SCHEMBL27878282 | 0.73 | CCR1 (0.70) | LMNAKDM4EMAPTCCR1CCR5 | |
| Phenanthroline SCHEMBL23724038 | 0.71 | CCR1 (0.67) | LMNAKDM4EMAPTCCR1CCR5 | |
| SCHEMBL12446438 | 0.70 | SLC40A1 (0.35) | SLC40A1 | |
| SCHEMBL15307697 | 0.69 | SLC40A1 (0.43) | LMNAKDM4EMAPTCCR1CCR5 | |
| SCHEMBL31260254 | 0.69 | MAPK14 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102176828-B | Antifungal preparation | SCYNEXIS, INC. (US) | 2015-11-25 | — | — | CN | disclosed |
| CN-104877001-A | Antifungal Agents | SCYNEXIS INC | 2015-09-02 | — | — | CN | disclosed |
| CN-102176827-B | Antifungal formulations | SCYNEXIS INC | 2015-05-20 | — | — | CN | disclosed |